N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine-7-carboxamide

C26H23ClN6O3 — CID 142427436

IUPACN-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCOc1ccc(Cn2cc3cncc(C(=O)Nc4cn(C)nc4-c4cc(Cl)ccc4OC)c3n2)cc1
InChIInChI=1S/C26H23ClN6O3/c1-32-15-22(25(30-32)20-10-18(27)6-9-23(20)36-3)29-26(34)21-12-28-11-17-14-33(31-24(17)21)13-16-4-7-19(35-2)8-5-16/h4-12,14-15H,13H2,1-3H3,(H,29,34)
InChIKeyZUHWKHKAEFGREZ-UHFFFAOYSA-N
MW502.96 g/mol
LogP4.80
Rot. Bonds7

About N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine-7-carboxamide

N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 142427436) has the molecular formula C26H23ClN6O3 and a molecular weight of 502.96 g/mol. Its IUPAC name is N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine-7-carboxamide
PubChem CID142427436
Molecular FormulaC26H23ClN6O3
Molecular Weight502.96 g/mol
Exact Mass502.15
IUPAC NameN-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCOc1ccc(Cn2cc3cncc(C(=O)Nc4cn(C)nc4-c4cc(Cl)ccc4OC)c3n2)cc1
InChIInChI=1S/C26H23ClN6O3/c1-32-15-22(25(30-32)20-10-18(27)6-9-23(20)36-3)29-26(34)21-12-28-11-17-14-33(31-24(17)21)13-16-4-7-19(35-2)8-5-16/h4-12,14-15H,13H2,1-3H3,(H,29,34)
InChIKeyZUHWKHKAEFGREZ-UHFFFAOYSA-N
XLogP4.80
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.96
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-chloro-2-methoxy-N-[1-[(4-methoxyphenyl)methyl]-3-[4-[(4-methoxyphenyl)methyl]-1-methyl-5-oxo-1,2,4-triazol-3-yl]pyrazol-4-yl]benzamide
CID 59376310
N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-7H-cyclopenta[c]pyridine-4-carboxamide
CID 157090196
1-benzyl-3-(4-chlorophenyl)-N-(2,5-dimethoxyphenyl)pyrazole-4-carboxamide
CID 43025551
2-[3-(5-chloro-2-methoxyphenyl)-4-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-1-yl]acetic acid
CID 66879664
N-[3-(5-chloro-2-methoxyphenyl)-1-(3,3,3-trifluoroprop-1-enyl)pyrazol-4-yl]pyrazolo[1,5-c]pyrimidine-3-carboxamide
CID 70496819
N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-1,6,10-triazabicyclo[5.3.0]deca-2,4,5,7-tetraene-8-carboxamide
CID 176543592
methyl 5-bromo-2-[(4-methoxyphenyl)methyl]indazole-7-carboxylate
CID 59023809
N-(2-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 29274206
N-[3-(5-chloro-2-methoxyphenyl)-1-(2-oxoethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 154961995
2-(4-chlorophenyl)-N-[3-(3,4-dimethoxyphenyl)-1-methylpyrazol-4-yl]acetamide
CID 11361152
N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[(2S)-2-[(4-methoxyphenyl)methyl-methylamino]propyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 118522420
7-chloro-5-(2,5-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine
CID 86675269

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine-7-carboxamide?
The IUPAC name of N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine-7-carboxamide (CID 142427436) is N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine-7-carboxamide.
What is the SMILES notation for N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine-7-carboxamide?
The canonical SMILES for N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine-7-carboxamide is COc1ccc(Cn2cc3cncc(C(=O)Nc4cn(C)nc4-c4cc(Cl)ccc4OC)c3n2)cc1.
What is the InChIKey of N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine-7-carboxamide?
The InChIKey is ZUHWKHKAEFGREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN6O3/c1-32-15-22(25(30-32)20-10-18(27)6-9-23(20)36-3)29-26(34)21-12-28-11-17-14-33(31-24(17)21)13-16-4-7-19(35-2)8-5-16/h4-12,14-15H,13H2,1-3H3,(H,29,34).
What are the key properties of N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine-7-carboxamide?
N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 502.96 g/mol, XLogP of 4.80, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-2-methoxyphenyl)-1-methylpyrazol-4-yl]-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 142427436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).