1-[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)pyrazolo[3,4-c]pyridin-7-yl]-4-piperidin-1-ylpiperidine-4-carboxamide

C29H29Cl3N6O — CID 23725508

IUPAC1-[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)pyrazolo[3,4-c]pyridin-7-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(c2nccc3c(-c4ccc(Cl)cc4)n(-c4ccc(Cl)cc4Cl)nc23)CC1
InChIInChI=1S/C29H29Cl3N6O/c30-20-6-4-19(5-7-20)26-22-10-13-34-27(25(22)35-38(26)24-9-8-21(31)18-23(24)32)36-16-11-29(12-17-36,28(33)39)37-14-2-1-3-15-37/h4-10,13,18H,1-3,11-12,14-17H2,(H2,33,39)
InChIKeyWODVGKFWOUAQAZ-UHFFFAOYSA-N
MW583.95 g/mol
LogP6.36
Rot. Bonds5

About 1-[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)pyrazolo[3,4-c]pyridin-7-yl]-4-piperidin-1-ylpiperidine-4-carboxamide

1-[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)pyrazolo[3,4-c]pyridin-7-yl]-4-piperidin-1-ylpiperidine-4-carboxamide (PubChem CID 23725508) has the molecular formula C29H29Cl3N6O and a molecular weight of 583.95 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)pyrazolo[3,4-c]pyridin-7-yl]-4-piperidin-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)pyrazolo[3,4-c]pyridin-7-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
PubChem CID23725508
Molecular FormulaC29H29Cl3N6O
Molecular Weight583.95 g/mol
Exact Mass582.15
IUPAC Name1-[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)pyrazolo[3,4-c]pyridin-7-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CCN(c2nccc3c(-c4ccc(Cl)cc4)n(-c4ccc(Cl)cc4Cl)nc23)CC1
InChIInChI=1S/C29H29Cl3N6O/c30-20-6-4-19(5-7-20)26-22-10-13-34-27(25(22)35-38(26)24-9-8-21(31)18-23(24)32)36-16-11-29(12-17-36,28(33)39)37-14-2-1-3-15-37/h4-10,13,18H,1-3,11-12,14-17H2,(H2,33,39)
InChIKeyWODVGKFWOUAQAZ-UHFFFAOYSA-N
XLogP6.36
TPSA80.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.95
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[3,4-c]pyridin-7-yl]-3-(ethylamino)azetidine-3-carboxamide
CID 69435363
1-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperidine-3-carboxamide
CID 169175708
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 66844170
1-[7-(2-chlorophenyl)-8-(4-chlorophenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-4-pyrrolidin-1-ylpiperidine-4-carboxamide
CID 11226423
1-[3-(benzenesulfonyl)-7-chlorotriazolo[1,5-a]quinazolin-5-yl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 16956150
N-[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]piperidine-1-carboxamide
CID 24880776
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-fluoro-N-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 70255079
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide;sulfuric acid
CID 25026422
1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methylpyrazole-3-carboxamide
CID 118923029
5-(4-chlorophenyl)-N-cyclopentyl-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 23652123
1-[[5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carbonyl]amino]pyrrolidine-2-carboxylic acid
CID 24748315
N-(azepan-1-yl)-5-(4-bromophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
CID 10506183

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)pyrazolo[3,4-c]pyridin-7-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)pyrazolo[3,4-c]pyridin-7-yl]-4-piperidin-1-ylpiperidine-4-carboxamide (CID 23725508) is 1-[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)pyrazolo[3,4-c]pyridin-7-yl]-4-piperidin-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)pyrazolo[3,4-c]pyridin-7-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)pyrazolo[3,4-c]pyridin-7-yl]-4-piperidin-1-ylpiperidine-4-carboxamide is NC(=O)C1(N2CCCCC2)CCN(c2nccc3c(-c4ccc(Cl)cc4)n(-c4ccc(Cl)cc4Cl)nc23)CC1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)pyrazolo[3,4-c]pyridin-7-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
The InChIKey is WODVGKFWOUAQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29Cl3N6O/c30-20-6-4-19(5-7-20)26-22-10-13-34-27(25(22)35-38(26)24-9-8-21(31)18-23(24)32)36-16-11-29(12-17-36,28(33)39)37-14-2-1-3-15-37/h4-10,13,18H,1-3,11-12,14-17H2,(H2,33,39).
What are the key properties of 1-[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)pyrazolo[3,4-c]pyridin-7-yl]-4-piperidin-1-ylpiperidine-4-carboxamide?
1-[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)pyrazolo[3,4-c]pyridin-7-yl]-4-piperidin-1-ylpiperidine-4-carboxamide has a molecular weight of 583.95 g/mol, XLogP of 6.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)pyrazolo[3,4-c]pyridin-7-yl]-4-piperidin-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 23725508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).