7-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-2,3-dihydro-1H-2,4-benzodiazepine-5-carboxamide

C27H32N8O — CID 153337176

IUPAC7-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-2,3-dihydro-1H-2,4-benzodiazepine-5-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)nc1)C1=NCNCc2ccc(-c3cnn(C4CCNCC4)c3)cc21
InChIInChI=1S/C27H32N8O/c36-27(33-22-5-6-25(30-16-22)34-11-1-2-12-34)26-24-13-19(3-4-20(24)14-29-18-31-26)21-15-32-35(17-21)23-7-9-28-10-8-23/h3-6,13,15-17,23,28-29H,1-2,7-12,14,18H2,(H,33,36)
InChIKeyFTKIRECAKBTWPI-UHFFFAOYSA-N
MW484.61 g/mol
LogP2.96
Rot. Bonds5

About 7-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-2,3-dihydro-1H-2,4-benzodiazepine-5-carboxamide

7-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-2,3-dihydro-1H-2,4-benzodiazepine-5-carboxamide (PubChem CID 153337176) has the molecular formula C27H32N8O and a molecular weight of 484.61 g/mol. Its IUPAC name is 7-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-2,3-dihydro-1H-2,4-benzodiazepine-5-carboxamide.

Molecular Properties

Compound Name7-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-2,3-dihydro-1H-2,4-benzodiazepine-5-carboxamide
PubChem CID153337176
Molecular FormulaC27H32N8O
Molecular Weight484.61 g/mol
Exact Mass484.27
IUPAC Name7-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-2,3-dihydro-1H-2,4-benzodiazepine-5-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)nc1)C1=NCNCc2ccc(-c3cnn(C4CCNCC4)c3)cc21
InChIInChI=1S/C27H32N8O/c36-27(33-22-5-6-25(30-16-22)34-11-1-2-12-34)26-24-13-19(3-4-20(24)14-29-18-31-26)21-15-32-35(17-21)23-7-9-28-10-8-23/h3-6,13,15-17,23,28-29H,1-2,7-12,14,18H2,(H,33,36)
InChIKeyFTKIRECAKBTWPI-UHFFFAOYSA-N
XLogP2.96
TPSA99.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.61
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 7-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-2,3-dihydro-1H-2,4-benzodiazepine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Gsk 343
CID 71268957
N-[(1,2-Dihydro-6-methyl-2-oxo-4-propyl-3-pyridinyl)methyl]-1-(1-methylethyl)-6-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-1H-indazole-4-carboxamide
CID 54596764
3-tert-butyl-N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]pyrrolidine-1-carboxamide
CID 118139435
N-[2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3-propan-2-ylpyrrolidine-1-carboxamide
CID 118139808
5-(tert-butyl)-4-methyl-N-(2-(2-((1-methyl-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-4H-1,2,4-triazole-3-carboxamide
CID 135355927
1,1,5'-Trimethyl-2'-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]spiro[cyclohexane-4,7'-pyrrolo[3,2-d]pyrimidine]-6'-one
CID 167362923
N-[2-(Methylamino)-2-Oxidanylidene-Ethyl]-2-(4-Pyrazol-1-Ylphenyl)-N-(1-Pyridin-2-Ylpiperidin-4-Yl)ethanamide
CID 122391195
(2S)-2-[[6-(2-methylpyrazol-3-yl)-3-pyridinyl]amino]-N-(5-phenyl-2-pyridinyl)propanamide
CID 122234475
(3S)-3-tert-butyl-N-[2-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]pyrrolidine-1-carboxamide
CID 166634307
4-(2,2-Dimethylpropyl)-1-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]piperazin-2-one
CID 168278348
(3-Methylphenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10644061
2-(2-methylphenyl)-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]ethanone
CID 53317010

Frequently Asked Questions

What is the IUPAC name of 7-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-2,3-dihydro-1H-2,4-benzodiazepine-5-carboxamide?
The IUPAC name of 7-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-2,3-dihydro-1H-2,4-benzodiazepine-5-carboxamide (CID 153337176) is 7-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-2,3-dihydro-1H-2,4-benzodiazepine-5-carboxamide.
What is the SMILES notation for 7-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-2,3-dihydro-1H-2,4-benzodiazepine-5-carboxamide?
The canonical SMILES for 7-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-2,3-dihydro-1H-2,4-benzodiazepine-5-carboxamide is O=C(Nc1ccc(N2CCCC2)nc1)C1=NCNCc2ccc(-c3cnn(C4CCNCC4)c3)cc21.
What is the InChIKey of 7-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-2,3-dihydro-1H-2,4-benzodiazepine-5-carboxamide?
The InChIKey is FTKIRECAKBTWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N8O/c36-27(33-22-5-6-25(30-16-22)34-11-1-2-12-34)26-24-13-19(3-4-20(24)14-29-18-31-26)21-15-32-35(17-21)23-7-9-28-10-8-23/h3-6,13,15-17,23,28-29H,1-2,7-12,14,18H2,(H,33,36).
What are the key properties of 7-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-2,3-dihydro-1H-2,4-benzodiazepine-5-carboxamide?
7-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-2,3-dihydro-1H-2,4-benzodiazepine-5-carboxamide has a molecular weight of 484.61 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-piperidin-4-ylpyrazol-4-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-2,3-dihydro-1H-2,4-benzodiazepine-5-carboxamide is sourced from PubChem (CID 153337176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).