N-[5-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-phenylbenzamide

C30H23N5O2 — CID 21462557

IUPACN-[5-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-phenylbenzamide
SMILESO=C(Nc1ccc(C(=O)N2Cc3ccnn3Cc3ccccc32)cn1)c1ccccc1-c1ccccc1
InChIInChI=1S/C30H23N5O2/c36-29(26-12-6-5-11-25(26)21-8-2-1-3-9-21)33-28-15-14-22(18-31-28)30(37)34-20-24-16-17-32-35(24)19-23-10-4-7-13-27(23)34/h1-18H,19-20H2,(H,31,33,36)
InChIKeyFGMDRDMGXTWIDQ-UHFFFAOYSA-N
MW485.55 g/mol
LogP5.41
Rot. Bonds4

About N-[5-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-phenylbenzamide

N-[5-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-phenylbenzamide (PubChem CID 21462557) has the molecular formula C30H23N5O2 and a molecular weight of 485.55 g/mol. Its IUPAC name is N-[5-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-phenylbenzamide.

Molecular Properties

Compound NameN-[5-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-phenylbenzamide
PubChem CID21462557
Molecular FormulaC30H23N5O2
Molecular Weight485.55 g/mol
Exact Mass485.19
IUPAC NameN-[5-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-phenylbenzamide
SMILESO=C(Nc1ccc(C(=O)N2Cc3ccnn3Cc3ccccc32)cn1)c1ccccc1-c1ccccc1
InChIInChI=1S/C30H23N5O2/c36-29(26-12-6-5-11-25(26)21-8-2-1-3-9-21)33-28-15-14-22(18-31-28)30(37)34-20-24-16-17-32-35(24)19-23-10-4-7-13-27(23)34/h1-18H,19-20H2,(H,31,33,36)
InChIKeyFGMDRDMGXTWIDQ-UHFFFAOYSA-N
XLogP5.41
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.55
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(6,11-dihydrobenzo[b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-pyridin-4-ylbenzamide
CID 22099803
4-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-methylbenzamide
CID 57470776
N-[5-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-hydroxybenzamide
CID 149150179
N-[4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)-2-methoxyphenyl]-2-phenylbenzamide
CID 18917518
N-[5-(6H-benzo[b][1,4]benzoxazepine-5-carbonyl)-2-pyridinyl]-2-chloropyridine-3-carboxamide
CID 22099721
N-[5-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-3,4,5-trimethoxybenzamide
CID 18917509
N-[4-(6,11-dihydropyrido[2,3-b][1,4]benzodiazepine-5-carbonyl)phenyl]-2-pyridin-3-ylbenzamide
CID 22099999
2-chloro-N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]pyridine-3-carboxamide
CID 22099633
N-[3-chloro-4-(6,11-dihydropyrrolo[2,1-c][1,4]benzodiazepine-5-carbonyl)phenyl]-2-phenylbenzamide
CID 10459252
N-[5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]-2,3-dimethylbenzamide
CID 139690677
5-[(2-phenylbenzoyl)amino]pyrazine-2-carboxylic acid
CID 137373472
N-[5-(5,11-dihydropyrido[3,2-c][1,5]benzodiazepine-6-carbonyl)-2-pyridinyl]-2-methylsulfanylbenzamide
CID 22099571

Frequently Asked Questions

What is the IUPAC name of N-[5-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-phenylbenzamide?
The IUPAC name of N-[5-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-phenylbenzamide (CID 21462557) is N-[5-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-phenylbenzamide.
What is the SMILES notation for N-[5-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-phenylbenzamide?
The canonical SMILES for N-[5-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-phenylbenzamide is O=C(Nc1ccc(C(=O)N2Cc3ccnn3Cc3ccccc32)cn1)c1ccccc1-c1ccccc1.
What is the InChIKey of N-[5-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-phenylbenzamide?
The InChIKey is FGMDRDMGXTWIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N5O2/c36-29(26-12-6-5-11-25(26)21-8-2-1-3-9-21)33-28-15-14-22(18-31-28)30(37)34-20-24-16-17-32-35(24)19-23-10-4-7-13-27(23)34/h1-18H,19-20H2,(H,31,33,36).
What are the key properties of N-[5-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-phenylbenzamide?
N-[5-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-phenylbenzamide has a molecular weight of 485.55 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4,10-dihydropyrazolo[5,1-c][1,4]benzodiazepine-5-carbonyl)-2-pyridinyl]-2-phenylbenzamide is sourced from PubChem (CID 21462557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).