CAS 886230-76-8

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(oxan-2-yl)-3-[(E)-2-pyridin-2-ylethenyl]indazol-6-amine

2.1.2 InChI

InChI=1S/C19H20N4O/c20-14-7-9-16-17(10-8-15-5-1-3-11-21-15)22-23(18(16)13-14)19-6-2-4-12-24-19/h1,3,5,7-11,13,19H,2,4,6,12,20H2/b10-8+

2.1.3 InChI Key

NSPUYMWXWXSVAJ-CSKARUKUSA-N

2.1.4 Canonical SMILES

C1CCOC(C1)N2C3=C(C=CC(=C3)N)C(=N2)C=CC4=CC=CC=N4

2.1.5 Isomeric SMILES

C1CCOC(C1)N2C3=C(C=CC(=C3)N)C(=N2)/C=C/C4=CC=CC=N4

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 886230-76-8

2. (e)-3-(2-(pyridin-2-yl)vinyl)-1-(tetrahydro-2h-pyran-2-yl)-1h-indazol-6-amine

3. 1-(oxan-2-yl)-3-[(e)-2-pyridin-2-ylethenyl]indazol-6-amine

4. Amy408

5. Schembl4053570

6. Schembl4053575

7. D85410

8. 230p768

9. 3-(2-pyridin-2-yl-vinyl)-1-(tetrahydro-pyran-2-yl)-1h-indazol-6-ylamine

2.3 Create Date

2012-08-19

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₂₀N₄O
Molecular Weight	320.4 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	320.16371127 g/mol
Monoisotopic Mass	320.16371127 g/mol
Topological Polar Surface Area	66 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	443
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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