2-chloro-N-(10-hydroxy-8-methyl-2-phenyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-(1,2,4-triazol-4-yl)benzamide

C27H23ClN6O2 — CID 122472993

IUPAC2-chloro-N-(10-hydroxy-8-methyl-2-phenyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-(1,2,4-triazol-4-yl)benzamide
SMILESCc1cc(O)c2c3c(nn2c1)CCC(NC(=O)c1ccc(-n2cnnc2)cc1Cl)(c1ccccc1)C3
InChIInChI=1S/C27H23ClN6O2/c1-17-11-24(35)25-21-13-27(18-5-3-2-4-6-18,10-9-23(21)32-34(25)14-17)31-26(36)20-8-7-19(12-22(20)28)33-15-29-30-16-33/h2-8,11-12,14-16,35H,9-10,13H2,1H3,(H,31,36)
InChIKeyMLUYTGGZSZAFEB-UHFFFAOYSA-N
MW498.97 g/mol
LogP4.40
Rot. Bonds4

About 2-chloro-N-(10-hydroxy-8-methyl-2-phenyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-(1,2,4-triazol-4-yl)benzamide

2-chloro-N-(10-hydroxy-8-methyl-2-phenyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-(1,2,4-triazol-4-yl)benzamide (PubChem CID 122472993) has the molecular formula C27H23ClN6O2 and a molecular weight of 498.97 g/mol. Its IUPAC name is 2-chloro-N-(10-hydroxy-8-methyl-2-phenyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-(1,2,4-triazol-4-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(10-hydroxy-8-methyl-2-phenyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-(1,2,4-triazol-4-yl)benzamide
PubChem CID122472993
Molecular FormulaC27H23ClN6O2
Molecular Weight498.97 g/mol
Exact Mass498.16
IUPAC Name2-chloro-N-(10-hydroxy-8-methyl-2-phenyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-(1,2,4-triazol-4-yl)benzamide
SMILESCc1cc(O)c2c3c(nn2c1)CCC(NC(=O)c1ccc(-n2cnnc2)cc1Cl)(c1ccccc1)C3
InChIInChI=1S/C27H23ClN6O2/c1-17-11-24(35)25-21-13-27(18-5-3-2-4-6-18,10-9-23(21)32-34(25)14-17)31-26(36)20-8-7-19(12-22(20)28)33-15-29-30-16-33/h2-8,11-12,14-16,35H,9-10,13H2,1H3,(H,31,36)
InChIKeyMLUYTGGZSZAFEB-UHFFFAOYSA-N
XLogP4.40
TPSA97.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.97
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-chloro-N-(10-hydroxy-8-methyl-2-phenyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-(1,2,4-triazol-4-yl)benzamide with MolForge

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Related Compounds

N-[(2r)-10-Hydroxy-2,7-Dimethyl-1,2,3,4-Tetrahydropyrido[1,2-B]indazol-2-Yl]-4-(4h-1,2,4-Triazol-4-Yl)benzamide
CID 122473225
2,6-dichloro-N-[(2R)-2-(hydroxymethyl)-8-methyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide
CID 122193798
2-chloro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-(1,2,4-triazol-4-yl)benzamide
CID 118736129
2-chloro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-(1,2,4-triazol-1-yl)benzamide
CID 118736130
2-chloro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-(triazol-1-yl)benzamide
CID 118736131
2-chloro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-imidazol-1-ylbenzamide
CID 118736133
2,6-dichloro-N-[(2R)-10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide
CID 122193791
2,6-dichloro-N-[(2R)-2-(1-hydroxyethyl)-8-methyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide
CID 122193799
2-chloro-N-[(2R)-2-(3-methoxyphenyl)-8-methyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl]-4-(3-methyl-1,2,4-triazol-1-yl)benzamide
CID 122193881
1-[3-chloro-4-[[(2R)-2,8-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl]carbamoyl]phenyl]benzimidazole-5-carboxylic acid
CID 122193889
1-[3-chloro-4-[(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)carbamoyl]phenyl]benzimidazole-5-carboxylic acid
CID 145985550
2-chloro-N-(10-hydroxy-2,7-dimethyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-pyrazol-1-ylbenzamide
CID 118736134

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(10-hydroxy-8-methyl-2-phenyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-(1,2,4-triazol-4-yl)benzamide?
The IUPAC name of 2-chloro-N-(10-hydroxy-8-methyl-2-phenyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-(1,2,4-triazol-4-yl)benzamide (CID 122472993) is 2-chloro-N-(10-hydroxy-8-methyl-2-phenyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-(1,2,4-triazol-4-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(10-hydroxy-8-methyl-2-phenyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-(1,2,4-triazol-4-yl)benzamide?
The canonical SMILES for 2-chloro-N-(10-hydroxy-8-methyl-2-phenyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-(1,2,4-triazol-4-yl)benzamide is Cc1cc(O)c2c3c(nn2c1)CCC(NC(=O)c1ccc(-n2cnnc2)cc1Cl)(c1ccccc1)C3.
What is the InChIKey of 2-chloro-N-(10-hydroxy-8-methyl-2-phenyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-(1,2,4-triazol-4-yl)benzamide?
The InChIKey is MLUYTGGZSZAFEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN6O2/c1-17-11-24(35)25-21-13-27(18-5-3-2-4-6-18,10-9-23(21)32-34(25)14-17)31-26(36)20-8-7-19(12-22(20)28)33-15-29-30-16-33/h2-8,11-12,14-16,35H,9-10,13H2,1H3,(H,31,36).
What are the key properties of 2-chloro-N-(10-hydroxy-8-methyl-2-phenyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-(1,2,4-triazol-4-yl)benzamide?
2-chloro-N-(10-hydroxy-8-methyl-2-phenyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-(1,2,4-triazol-4-yl)benzamide has a molecular weight of 498.97 g/mol, XLogP of 4.40, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(10-hydroxy-8-methyl-2-phenyl-3,4-dihydro-1H-pyrido[1,2-b]indazol-2-yl)-4-(1,2,4-triazol-4-yl)benzamide is sourced from PubChem (CID 122472993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).