N-[5-(7,7-dimethyl-6-oxo-5-propan-2-yl-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]azepane-1-carboxamide

C24H31N7O2 — CID 135501876

IUPACN-[5-(7,7-dimethyl-6-oxo-5-propan-2-yl-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]azepane-1-carboxamide
SMILESCC(C)N1C(=O)C(C)(C)c2cc3[nH]c(-c4[nH]ncc4NC(=O)N4CCCCCC4)nc3cc21
InChIInChI=1S/C24H31N7O2/c1-14(2)31-19-12-17-16(11-15(19)24(3,4)22(31)32)26-21(27-17)20-18(13-25-29-20)28-23(33)30-9-7-5-6-8-10-30/h11-14H,5-10H2,1-4H3,(H,25,29)(H,26,27)(H,28,33)
InChIKeyLMJUHXNPXXJXPE-UHFFFAOYSA-N
MW449.56 g/mol
LogP4.39
Rot. Bonds3

About N-[5-(7,7-dimethyl-6-oxo-5-propan-2-yl-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]azepane-1-carboxamide

N-[5-(7,7-dimethyl-6-oxo-5-propan-2-yl-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]azepane-1-carboxamide (PubChem CID 135501876) has the molecular formula C24H31N7O2 and a molecular weight of 449.56 g/mol. Its IUPAC name is N-[5-(7,7-dimethyl-6-oxo-5-propan-2-yl-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]azepane-1-carboxamide.

Molecular Properties

Compound NameN-[5-(7,7-dimethyl-6-oxo-5-propan-2-yl-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]azepane-1-carboxamide
PubChem CID135501876
Molecular FormulaC24H31N7O2
Molecular Weight449.56 g/mol
Exact Mass449.25
IUPAC NameN-[5-(7,7-dimethyl-6-oxo-5-propan-2-yl-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]azepane-1-carboxamide
SMILESCC(C)N1C(=O)C(C)(C)c2cc3[nH]c(-c4[nH]ncc4NC(=O)N4CCCCCC4)nc3cc21
InChIInChI=1S/C24H31N7O2/c1-14(2)31-19-12-17-16(11-15(19)24(3,4)22(31)32)26-21(27-17)20-18(13-25-29-20)28-23(33)30-9-7-5-6-8-10-30/h11-14H,5-10H2,1-4H3,(H,25,29)(H,26,27)(H,28,33)
InChIKeyLMJUHXNPXXJXPE-UHFFFAOYSA-N
XLogP4.39
TPSA110.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 54.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[5-(7,7-dimethyl-6-oxo-5-propan-2-yl-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]azepane-1-carboxamide with MolForge

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Related Compounds

N-[5-(6-hydroxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide
CID 136609014
N-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-3-methylbutanamide
CID 135501813
4-methyl-N-[5-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1H-pyrazol-4-yl]piperazine-1-carboxamide
CID 135750711
N-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-methylthiophene-2-carboxamide
CID 135501849
N-[3-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-indazol-5-yl]piperidine-1-carboxamide
CID 136650351
N-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-phenylcyclopropane-1-carboxamide
CID 135501830
N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-piperidin-1-ylacetamide
CID 135804579
7,7-dimethyl-5-propan-2-yl-2-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 135526520
N-[5-(5-ethyl-7,7-dimethyl-6-oxo-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-benzofuran-2-carboxamide
CID 135501852
2-(1H-indazol-3-yl)-7,7-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrrolo[2,3-f]benzimidazol-6-one
CID 135461273
N-[5-(5,6-dimethyl-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]cyclopenta-1,4-diene-1-carboxamide
CID 136608966
N-[5-[4-[(E)-2-[3-ethoxypropyl(ethyl)amino]-3-fluorobut-1-enyl]-5-methyl-1H-imidazol-2-yl]-1H-pyrazol-4-yl]piperidine-1-carboxamide
CID 137190601

Frequently Asked Questions

What is the IUPAC name of N-[5-(7,7-dimethyl-6-oxo-5-propan-2-yl-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]azepane-1-carboxamide?
The IUPAC name of N-[5-(7,7-dimethyl-6-oxo-5-propan-2-yl-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]azepane-1-carboxamide (CID 135501876) is N-[5-(7,7-dimethyl-6-oxo-5-propan-2-yl-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]azepane-1-carboxamide.
What is the SMILES notation for N-[5-(7,7-dimethyl-6-oxo-5-propan-2-yl-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]azepane-1-carboxamide?
The canonical SMILES for N-[5-(7,7-dimethyl-6-oxo-5-propan-2-yl-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]azepane-1-carboxamide is CC(C)N1C(=O)C(C)(C)c2cc3[nH]c(-c4[nH]ncc4NC(=O)N4CCCCCC4)nc3cc21.
What is the InChIKey of N-[5-(7,7-dimethyl-6-oxo-5-propan-2-yl-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]azepane-1-carboxamide?
The InChIKey is LMJUHXNPXXJXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O2/c1-14(2)31-19-12-17-16(11-15(19)24(3,4)22(31)32)26-21(27-17)20-18(13-25-29-20)28-23(33)30-9-7-5-6-8-10-30/h11-14H,5-10H2,1-4H3,(H,25,29)(H,26,27)(H,28,33).
What are the key properties of N-[5-(7,7-dimethyl-6-oxo-5-propan-2-yl-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]azepane-1-carboxamide?
N-[5-(7,7-dimethyl-6-oxo-5-propan-2-yl-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]azepane-1-carboxamide has a molecular weight of 449.56 g/mol, XLogP of 4.39, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(7,7-dimethyl-6-oxo-5-propan-2-yl-1H-pyrrolo[2,3-f]benzimidazol-2-yl)-1H-pyrazol-4-yl]azepane-1-carboxamide is sourced from PubChem (CID 135501876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).