7-[(5-methylpyrazol-1-yl)methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-5,10-dihydro-4H-imidazo[2,1-c][1,4]benzodiazepine-2-carboxamide

C25H24N8O — CID 156523989

IUPAC7-[(5-methylpyrazol-1-yl)methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-5,10-dihydro-4H-imidazo[2,1-c][1,4]benzodiazepine-2-carboxamide
SMILESCc1ccnn1Cc1ccc2c(c1)NCc1nc(C(=O)NCc3cnc4[nH]ccc4c3)cn1C2
InChIInChI=1S/C25H24N8O/c1-16-4-7-30-33(16)13-17-2-3-20-14-32-15-22(31-23(32)12-27-21(20)9-17)25(34)29-11-18-8-19-5-6-26-24(19)28-10-18/h2-10,15,27H,11-14H2,1H3,(H,26,28)(H,29,34)
InChIKeyYQXGGTMJHKJMNM-UHFFFAOYSA-N
MW452.52 g/mol
LogP3.22
Rot. Bonds5

About 7-[(5-methylpyrazol-1-yl)methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-5,10-dihydro-4H-imidazo[2,1-c][1,4]benzodiazepine-2-carboxamide

7-[(5-methylpyrazol-1-yl)methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-5,10-dihydro-4H-imidazo[2,1-c][1,4]benzodiazepine-2-carboxamide (PubChem CID 156523989) has the molecular formula C25H24N8O and a molecular weight of 452.52 g/mol. Its IUPAC name is 7-[(5-methylpyrazol-1-yl)methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-5,10-dihydro-4H-imidazo[2,1-c][1,4]benzodiazepine-2-carboxamide.

Molecular Properties

Compound Name7-[(5-methylpyrazol-1-yl)methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-5,10-dihydro-4H-imidazo[2,1-c][1,4]benzodiazepine-2-carboxamide
PubChem CID156523989
Molecular FormulaC25H24N8O
Molecular Weight452.52 g/mol
Exact Mass452.21
IUPAC Name7-[(5-methylpyrazol-1-yl)methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-5,10-dihydro-4H-imidazo[2,1-c][1,4]benzodiazepine-2-carboxamide
SMILESCc1ccnn1Cc1ccc2c(c1)NCc1nc(C(=O)NCc3cnc4[nH]ccc4c3)cn1C2
InChIInChI=1S/C25H24N8O/c1-16-4-7-30-33(16)13-17-2-3-20-14-32-15-22(31-23(32)12-27-21(20)9-17)25(34)29-11-18-8-19-5-6-26-24(19)28-10-18/h2-10,15,27H,11-14H2,1H3,(H,26,28)(H,29,34)
InChIKeyYQXGGTMJHKJMNM-UHFFFAOYSA-N
XLogP3.22
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.52
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1-amino-7-methoxyisoquinolin-6-yl)methyl]-7-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-5,10-dihydro-4H-imidazo[2,1-c][1,4]benzodiazepine-2-carboxamide
CID 156524101
1-[[4-[(6-fluoro-2-pyridinyl)oxymethyl]phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrazole-4-carboxamide
CID 135120948
N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 68637896
(2S)-2-amino-3-(3,4-dichlorophenyl)-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)propanamide
CID 67195210
(2S)-2-amino-3-(3,4-dichlorophenyl)-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)propanamide;dihydrochloride
CID 67197304
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[[4-[(5-methylpyrazol-1-yl)methyl]phenyl]methyl]triazole-4-carboxamide
CID 58081254
N-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 86810517
N-(1H-indol-5-ylmethyl)-5-(4-methylphenoxy)pyridine-2-carboxamide
CID 68637316
5-ethyl-1H-pyrrolo[2,3-b]pyridine
CID 54231217
2-amino-3-(3,4-difluorophenyl)-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)propanamide
CID 67192533
N-[(3-methylphenyl)methyl]-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine-2-carboxamide
CID 71838130
5-[[(5-methylpyrazine-2-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 81100153

Frequently Asked Questions

What is the IUPAC name of 7-[(5-methylpyrazol-1-yl)methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-5,10-dihydro-4H-imidazo[2,1-c][1,4]benzodiazepine-2-carboxamide?
The IUPAC name of 7-[(5-methylpyrazol-1-yl)methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-5,10-dihydro-4H-imidazo[2,1-c][1,4]benzodiazepine-2-carboxamide (CID 156523989) is 7-[(5-methylpyrazol-1-yl)methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-5,10-dihydro-4H-imidazo[2,1-c][1,4]benzodiazepine-2-carboxamide.
What is the SMILES notation for 7-[(5-methylpyrazol-1-yl)methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-5,10-dihydro-4H-imidazo[2,1-c][1,4]benzodiazepine-2-carboxamide?
The canonical SMILES for 7-[(5-methylpyrazol-1-yl)methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-5,10-dihydro-4H-imidazo[2,1-c][1,4]benzodiazepine-2-carboxamide is Cc1ccnn1Cc1ccc2c(c1)NCc1nc(C(=O)NCc3cnc4[nH]ccc4c3)cn1C2.
What is the InChIKey of 7-[(5-methylpyrazol-1-yl)methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-5,10-dihydro-4H-imidazo[2,1-c][1,4]benzodiazepine-2-carboxamide?
The InChIKey is YQXGGTMJHKJMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O/c1-16-4-7-30-33(16)13-17-2-3-20-14-32-15-22(31-23(32)12-27-21(20)9-17)25(34)29-11-18-8-19-5-6-26-24(19)28-10-18/h2-10,15,27H,11-14H2,1H3,(H,26,28)(H,29,34).
What are the key properties of 7-[(5-methylpyrazol-1-yl)methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-5,10-dihydro-4H-imidazo[2,1-c][1,4]benzodiazepine-2-carboxamide?
7-[(5-methylpyrazol-1-yl)methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-5,10-dihydro-4H-imidazo[2,1-c][1,4]benzodiazepine-2-carboxamide has a molecular weight of 452.52 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-methylpyrazol-1-yl)methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-5,10-dihydro-4H-imidazo[2,1-c][1,4]benzodiazepine-2-carboxamide is sourced from PubChem (CID 156523989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).