4-(cyclopropylmethyl)-N,N-dimethyl-2-(4-pyridin-4-ylpiperazine-1-carbonyl)pyrrolo[3,2-b]indole-1-carboxamide

C27H30N6O2 — CID 97442055

IUPAC4-(cyclopropylmethyl)-N,N-dimethyl-2-(4-pyridin-4-ylpiperazine-1-carbonyl)pyrrolo[3,2-b]indole-1-carboxamide
SMILESCN(C)C(=O)n1c(C(=O)N2CCN(c3ccncc3)CC2)cc2c1c1ccccc1n2CC1CC1
InChIInChI=1S/C27H30N6O2/c1-29(2)27(35)33-24(26(34)31-15-13-30(14-16-31)20-9-11-28-12-10-20)17-23-25(33)21-5-3-4-6-22(21)32(23)18-19-7-8-19/h3-6,9-12,17,19H,7-8,13-16,18H2,1-2H3
InChIKeyQSIBXYJCUHJKBT-UHFFFAOYSA-N
MW470.58 g/mol
LogP3.89
Rot. Bonds4

About 4-(cyclopropylmethyl)-N,N-dimethyl-2-(4-pyridin-4-ylpiperazine-1-carbonyl)pyrrolo[3,2-b]indole-1-carboxamide

4-(cyclopropylmethyl)-N,N-dimethyl-2-(4-pyridin-4-ylpiperazine-1-carbonyl)pyrrolo[3,2-b]indole-1-carboxamide (PubChem CID 97442055) has the molecular formula C27H30N6O2 and a molecular weight of 470.58 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-N,N-dimethyl-2-(4-pyridin-4-ylpiperazine-1-carbonyl)pyrrolo[3,2-b]indole-1-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-N,N-dimethyl-2-(4-pyridin-4-ylpiperazine-1-carbonyl)pyrrolo[3,2-b]indole-1-carboxamide
PubChem CID97442055
Molecular FormulaC27H30N6O2
Molecular Weight470.58 g/mol
Exact Mass470.24
IUPAC Name4-(cyclopropylmethyl)-N,N-dimethyl-2-(4-pyridin-4-ylpiperazine-1-carbonyl)pyrrolo[3,2-b]indole-1-carboxamide
SMILESCN(C)C(=O)n1c(C(=O)N2CCN(c3ccncc3)CC2)cc2c1c1ccccc1n2CC1CC1
InChIInChI=1S/C27H30N6O2/c1-29(2)27(35)33-24(26(34)31-15-13-30(14-16-31)20-9-11-28-12-10-20)17-23-25(33)21-5-3-4-6-22(21)32(23)18-19-7-8-19/h3-6,9-12,17,19H,7-8,13-16,18H2,1-2H3
InChIKeyQSIBXYJCUHJKBT-UHFFFAOYSA-N
XLogP3.89
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(cyclopropylmethyl)-N,N-dimethyl-2-(4-pyridin-4-ylpiperazine-1-carbonyl)pyrrolo[3,2-b]indole-1-carboxamide with MolForge

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Related Compounds

4-(cyclopropylmethyl)-1-N,1-N-dimethyl-2-N-propylpyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 97442031
[4-(cyclopropylmethyl)-1-methylpyrrolo[3,2-b]indol-2-yl]-(4-propan-2-ylpiperazin-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 155838905
[1-(2-methoxyethyl)-4-propan-2-ylpyrrolo[3,2-b]indol-2-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone;2,2,2-trifluoroacetic acid
CID 155850470
N,N,4-trimethyl-2-(2-methylpiperidine-1-carbonyl)pyrrolo[3,2-b]indole-1-carboxamide
CID 131643767
naphthalen-1-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 31565762
N-butyl-4-(cyclopropylmethyl)-N-ethyl-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361470
4-(cyclopropylmethyl)-1-methyl-N-propylpyrrolo[3,2-b]indole-2-carboxamide
CID 97407118
4-(cyclopropylmethyl)-N-(3-ethoxypropyl)-1-pyrimidin-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361469
1H-indazol-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228509
[1-(1-benzylbenzimidazole-2-carbonyl)piperidin-4-yl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 44579866
4-(cyclopropylmethyl)-1-methyl-N-pyridin-3-ylpyrrolo[3,2-b]indole-2-carboxamide;2,2,2-trifluoroacetic acid
CID 155853691
1-methyl-3-[[4-(4-pyridin-4-ylpiperazine-1-carbonyl)cyclohexyl]methyl]-5-(trifluoromethyl)benzimidazol-2-one
CID 123770507

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-N,N-dimethyl-2-(4-pyridin-4-ylpiperazine-1-carbonyl)pyrrolo[3,2-b]indole-1-carboxamide?
The IUPAC name of 4-(cyclopropylmethyl)-N,N-dimethyl-2-(4-pyridin-4-ylpiperazine-1-carbonyl)pyrrolo[3,2-b]indole-1-carboxamide (CID 97442055) is 4-(cyclopropylmethyl)-N,N-dimethyl-2-(4-pyridin-4-ylpiperazine-1-carbonyl)pyrrolo[3,2-b]indole-1-carboxamide.
What is the SMILES notation for 4-(cyclopropylmethyl)-N,N-dimethyl-2-(4-pyridin-4-ylpiperazine-1-carbonyl)pyrrolo[3,2-b]indole-1-carboxamide?
The canonical SMILES for 4-(cyclopropylmethyl)-N,N-dimethyl-2-(4-pyridin-4-ylpiperazine-1-carbonyl)pyrrolo[3,2-b]indole-1-carboxamide is CN(C)C(=O)n1c(C(=O)N2CCN(c3ccncc3)CC2)cc2c1c1ccccc1n2CC1CC1.
What is the InChIKey of 4-(cyclopropylmethyl)-N,N-dimethyl-2-(4-pyridin-4-ylpiperazine-1-carbonyl)pyrrolo[3,2-b]indole-1-carboxamide?
The InChIKey is QSIBXYJCUHJKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O2/c1-29(2)27(35)33-24(26(34)31-15-13-30(14-16-31)20-9-11-28-12-10-20)17-23-25(33)21-5-3-4-6-22(21)32(23)18-19-7-8-19/h3-6,9-12,17,19H,7-8,13-16,18H2,1-2H3.
What are the key properties of 4-(cyclopropylmethyl)-N,N-dimethyl-2-(4-pyridin-4-ylpiperazine-1-carbonyl)pyrrolo[3,2-b]indole-1-carboxamide?
4-(cyclopropylmethyl)-N,N-dimethyl-2-(4-pyridin-4-ylpiperazine-1-carbonyl)pyrrolo[3,2-b]indole-1-carboxamide has a molecular weight of 470.58 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-N,N-dimethyl-2-(4-pyridin-4-ylpiperazine-1-carbonyl)pyrrolo[3,2-b]indole-1-carboxamide is sourced from PubChem (CID 97442055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).