N-[2-(4-chlorophenyl)ethyl]-4-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-6-carboxamide

C23H21ClN4O2 — CID 134787708

IUPACN-[2-(4-chlorophenyl)ethyl]-4-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCCc2ccc(Cl)cc2)nc2c1cnn2C
InChIInChI=1S/C23H21ClN4O2/c1-28-22-19(14-26-28)18(17-5-3-4-6-21(17)30-2)13-20(27-22)23(29)25-12-11-15-7-9-16(24)10-8-15/h3-10,13-14H,11-12H2,1-2H3,(H,25,29)
InChIKeyGFACVPCUZPYQDB-UHFFFAOYSA-N
MW420.90 g/mol
LogP4.27
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-4-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-6-carboxamide

N-[2-(4-chlorophenyl)ethyl]-4-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 134787708) has the molecular formula C23H21ClN4O2 and a molecular weight of 420.90 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-4-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-4-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-6-carboxamide
PubChem CID134787708
Molecular FormulaC23H21ClN4O2
Molecular Weight420.90 g/mol
Exact Mass420.14
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-4-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-6-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCCc2ccc(Cl)cc2)nc2c1cnn2C
InChIInChI=1S/C23H21ClN4O2/c1-28-22-19(14-26-28)18(17-5-3-4-6-21(17)30-2)13-20(27-22)23(29)25-12-11-15-7-9-16(24)10-8-15/h3-10,13-14H,11-12H2,1-2H3,(H,25,29)
InChIKeyGFACVPCUZPYQDB-UHFFFAOYSA-N
XLogP4.27
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134799362
[4-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]-morpholin-4-ylmethanone
CID 134788228
N-[2-(4-chlorophenyl)ethyl]-2-methyltriazole-4-carboxamide
CID 110691406
5-chloro-N-[2-(4-chlorophenyl)ethyl]-2-methoxybenzamide
CID 9113269
N-[2-(4-chlorophenyl)ethyl]-5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxamide
CID 48981217
N-[2-(4-chlorophenyl)ethyl]-6-(2-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109372800
2-(4-chlorophenyl)-5-(2-methoxyphenyl)-N-(2-phenylethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46170554
5-(4-chloroanilino)-N-[2-(2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109192510
N-[2-(4-chlorophenyl)ethyl]-2-[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide
CID 20885017
N-[2-(4-chlorophenyl)ethyl]-5-(2-methoxy-5-methylanilino)pyridine-2-carboxamide
CID 109193668
5-[2-(4-chlorophenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190170
2-amino-N-[2-(4-chlorophenyl)ethyl]-6-methoxybenzamide
CID 81395966

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-6-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-6-carboxamide (CID 134787708) is N-[2-(4-chlorophenyl)ethyl]-4-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-4-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-6-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-4-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-6-carboxamide is COc1ccccc1-c1cc(C(=O)NCCc2ccc(Cl)cc2)nc2c1cnn2C.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-4-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-6-carboxamide?
The InChIKey is GFACVPCUZPYQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O2/c1-28-22-19(14-26-28)18(17-5-3-4-6-21(17)30-2)13-20(27-22)23(29)25-12-11-15-7-9-16(24)10-8-15/h3-10,13-14H,11-12H2,1-2H3,(H,25,29).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-4-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-6-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-4-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 420.90 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-4-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 134787708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).