N-[(3Z)-3-[[3-methyl-4-oxo-5-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]formamide

C24H27N5O3 — CID 24742260

About N-[(3Z)-3-[[3-methyl-4-oxo-5-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]formamide

N-[(3Z)-3-[[3-methyl-4-oxo-5-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]formamide (PubChem CID 24742260) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[(3Z)-3-[[3-methyl-4-oxo-5-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]formamide.

Molecular Properties

• Compound Name: N-[(3Z)-3-[[3-methyl-4-oxo-5-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]formamide
• PubChem CID: 24742260
• Molecular Formula: C24H27N5O3
• Molecular Weight: 433.51 g/mol
• Exact Mass: 433.21
• IUPAC Name: N-[(3Z)-3-[[3-methyl-4-oxo-5-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]formamide
• SMILES: Cc1c(/C=C2\C(=O)Nc3ccc(NC=O)cc32)[nH]c2c1C(=O)N(CCN1CCCC1)CC2
• InChI: InChI=1S/C24H27N5O3/c1-15-21(13-18-17-12-16(25-14-30)4-5-19(17)27-23(18)31)26-20-6-9-29(24(32)22(15)20)11-10-28-7-2-3-8-28/h4-5,12-14,26H,2-3,6-11H2,1H3,(H,25,30)(H,27,31)/b18-13-
• InChIKey: IWXCYXNVHIEAEC-AQTBWJFISA-N
• XLogP: 2.48
• TPSA: 97.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.51
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-[[3-methyl-4-oxo-5-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]formamide?

The IUPAC name of N-[(3Z)-3-[[3-methyl-4-oxo-5-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]formamide (CID 24742260) is N-[(3Z)-3-[[3-methyl-4-oxo-5-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]formamide.

What is the SMILES notation for N-[(3Z)-3-[[3-methyl-4-oxo-5-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]formamide?

The canonical SMILES for N-[(3Z)-3-[[3-methyl-4-oxo-5-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]formamide is Cc1c(/C=C2\C(=O)Nc3ccc(NC=O)cc32)[nH]c2c1C(=O)N(CCN1CCCC1)CC2.

What is the InChIKey of N-[(3Z)-3-[[3-methyl-4-oxo-5-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]formamide?

The InChIKey is IWXCYXNVHIEAEC-AQTBWJFISA-N. The full InChI is InChI=1S/C24H27N5O3/c1-15-21(13-18-17-12-16(25-14-30)4-5-19(17)27-23(18)31)26-20-6-9-29(24(32)22(15)20)11-10-28-7-2-3-8-28/h4-5,12-14,26H,2-3,6-11H2,1H3,(H,25,30)(H,27,31)/b18-13-.

What are the key properties of N-[(3Z)-3-[[3-methyl-4-oxo-5-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]formamide?

N-[(3Z)-3-[[3-methyl-4-oxo-5-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]formamide has a molecular weight of 433.51 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3Z)-3-[[3-methyl-4-oxo-5-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-2-oxo-1H-indol-5-yl]formamide is sourced from PubChem (CID 24742260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).