N-(3-chlorophenyl)-5-methoxy-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]indazol-3-amine

C24H19ClN4OS — CID 69189567

IUPACN-(3-chlorophenyl)-5-methoxy-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]indazol-3-amine
SMILESCOc1ccc2c(c1)c(Nc1cccc(Cl)c1)nn2Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C24H19ClN4OS/c1-30-20-10-11-22-21(13-20)23(26-18-9-5-8-17(25)12-18)28-29(22)14-19-15-31-24(27-19)16-6-3-2-4-7-16/h2-13,15H,14H2,1H3,(H,26,28)
InChIKeyXRDIHSIJEGDCHS-UHFFFAOYSA-N
MW446.96 g/mol
LogP6.61
Rot. Bonds6

About N-(3-chlorophenyl)-5-methoxy-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]indazol-3-amine

N-(3-chlorophenyl)-5-methoxy-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]indazol-3-amine (PubChem CID 69189567) has the molecular formula C24H19ClN4OS and a molecular weight of 446.96 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-methoxy-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]indazol-3-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-methoxy-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]indazol-3-amine
PubChem CID69189567
Molecular FormulaC24H19ClN4OS
Molecular Weight446.96 g/mol
Exact Mass446.10
IUPAC NameN-(3-chlorophenyl)-5-methoxy-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]indazol-3-amine
SMILESCOc1ccc2c(c1)c(Nc1cccc(Cl)c1)nn2Cc1csc(-c2ccccc2)n1
InChIInChI=1S/C24H19ClN4OS/c1-30-20-10-11-22-21(13-20)23(26-18-9-5-8-17(25)12-18)28-29(22)14-19-15-31-24(27-19)16-6-3-2-4-7-16/h2-13,15H,14H2,1H3,(H,26,28)
InChIKeyXRDIHSIJEGDCHS-UHFFFAOYSA-N
XLogP6.61
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.96
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-methoxy-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]indazol-3-amine?
The IUPAC name of N-(3-chlorophenyl)-5-methoxy-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]indazol-3-amine (CID 69189567) is N-(3-chlorophenyl)-5-methoxy-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]indazol-3-amine.
What is the SMILES notation for N-(3-chlorophenyl)-5-methoxy-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]indazol-3-amine?
The canonical SMILES for N-(3-chlorophenyl)-5-methoxy-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]indazol-3-amine is COc1ccc2c(c1)c(Nc1cccc(Cl)c1)nn2Cc1csc(-c2ccccc2)n1.
What is the InChIKey of N-(3-chlorophenyl)-5-methoxy-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]indazol-3-amine?
The InChIKey is XRDIHSIJEGDCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN4OS/c1-30-20-10-11-22-21(13-20)23(26-18-9-5-8-17(25)12-18)28-29(22)14-19-15-31-24(27-19)16-6-3-2-4-7-16/h2-13,15H,14H2,1H3,(H,26,28).
What are the key properties of N-(3-chlorophenyl)-5-methoxy-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]indazol-3-amine?
N-(3-chlorophenyl)-5-methoxy-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]indazol-3-amine has a molecular weight of 446.96 g/mol, XLogP of 6.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-methoxy-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]indazol-3-amine is sourced from PubChem (CID 69189567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).