2-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]-8-methyl-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide

C26H24N6O3 — CID 167151636

IUPAC2-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]-8-methyl-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide
SMILESCOc1ccnc(NC(=O)c2ccc(-c3nn4c(c3C(N)=O)Nc3ccc(C)cc3CC4)cc2)c1
InChIInChI=1S/C26H24N6O3/c1-15-3-8-20-18(13-15)10-12-32-25(29-20)22(24(27)33)23(31-32)16-4-6-17(7-5-16)26(34)30-21-14-19(35-2)9-11-28-21/h3-9,11,13-14,29H,10,12H2,1-2H3,(H2,27,33)(H,28,30,34)
InChIKeyFJXMTJSJEDKFNU-UHFFFAOYSA-N
MW468.52 g/mol
LogP3.91
Rot. Bonds5

About 2-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]-8-methyl-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide

2-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]-8-methyl-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide (PubChem CID 167151636) has the molecular formula C26H24N6O3 and a molecular weight of 468.52 g/mol. Its IUPAC name is 2-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]-8-methyl-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide.

Molecular Properties

Compound Name2-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]-8-methyl-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide
PubChem CID167151636
Molecular FormulaC26H24N6O3
Molecular Weight468.52 g/mol
Exact Mass468.19
IUPAC Name2-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]-8-methyl-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide
SMILESCOc1ccnc(NC(=O)c2ccc(-c3nn4c(c3C(N)=O)Nc3ccc(C)cc3CC4)cc2)c1
InChIInChI=1S/C26H24N6O3/c1-15-3-8-20-18(13-15)10-12-32-25(29-20)22(24(27)33)23(31-32)16-4-6-17(7-5-16)26(34)30-21-14-19(35-2)9-11-28-21/h3-9,11,13-14,29H,10,12H2,1-2H3,(H2,27,33)(H,28,30,34)
InChIKeyFJXMTJSJEDKFNU-UHFFFAOYSA-N
XLogP3.91
TPSA124.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[[(2,4-dimethoxybenzoyl)amino]methyl]phenyl]-8-methyl-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide
CID 167264786
8-methoxy-2-(4-phenoxyphenyl)-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide
CID 135971390
8-tert-butyl-2-[2-methyl-4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide
CID 167151728
8-methyl-2-[4-[1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propyl]phenyl]-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide
CID 167265230
8-tert-butyl-2-[4-[(4-ethoxy-2-pyridinyl)carbamoyl]-2-fluoro-3-methylphenyl]-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide
CID 170108854
2-[4-(anilinomethyl)phenyl]-8-methoxy-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide
CID 143420482
8-tert-butyl-2-[4-[(4,6-dimethyl-2-pyridinyl)carbamoyl]-3-methylphenyl]-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide
CID 170106673
2-(4-phenoxyphenyl)-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1,8-dicarboxamide
CID 175750463
8-propan-2-yl-2-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide
CID 174299414
2-[2-fluoro-3-methyl-4-(quinoxalin-2-ylcarbamoyl)phenyl]-8-methyl-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide
CID 167151898
2-[2-fluoro-3-methyl-4-(1,3-thiazol-2-ylcarbamoyl)phenyl]-8-methyl-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide
CID 167151790
8-[4-[[1-[4-[(3-amino-3-oxopropyl)amino]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-2-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide
CID 167151700

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]-8-methyl-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide?
The IUPAC name of 2-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]-8-methyl-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide (CID 167151636) is 2-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]-8-methyl-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide.
What is the SMILES notation for 2-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]-8-methyl-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide?
The canonical SMILES for 2-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]-8-methyl-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide is COc1ccnc(NC(=O)c2ccc(-c3nn4c(c3C(N)=O)Nc3ccc(C)cc3CC4)cc2)c1.
What is the InChIKey of 2-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]-8-methyl-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide?
The InChIKey is FJXMTJSJEDKFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O3/c1-15-3-8-20-18(13-15)10-12-32-25(29-20)22(24(27)33)23(31-32)16-4-6-17(7-5-16)26(34)30-21-14-19(35-2)9-11-28-21/h3-9,11,13-14,29H,10,12H2,1-2H3,(H2,27,33)(H,28,30,34).
What are the key properties of 2-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]-8-methyl-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide?
2-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]-8-methyl-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide has a molecular weight of 468.52 g/mol, XLogP of 3.91, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methoxy-2-pyridinyl)carbamoyl]phenyl]-8-methyl-6,11-dihydro-5H-pyrazolo[5,1-b][1,3]benzodiazepine-1-carboxamide is sourced from PubChem (CID 167151636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).