N-[1-[[1-cyano-1-[[1-(5,6-didehydropyridin-3-yl)cyclopropyl]amino]-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide

C32H37N7O4 — CID 170025265

About N-[1-[[1-cyano-1-[[1-(5,6-didehydropyridin-3-yl)cyclopropyl]amino]-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide

N-[1-[[1-cyano-1-[[1-(5,6-didehydropyridin-3-yl)cyclopropyl]amino]-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide (PubChem CID 170025265) has the molecular formula C32H37N7O4 and a molecular weight of 583.69 g/mol. Its IUPAC name is N-[1-[[1-cyano-1-[[1-(5,6-didehydropyridin-3-yl)cyclopropyl]amino]-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[1-cyano-1-[[1-(5,6-didehydropyridin-3-yl)cyclopropyl]amino]-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
• PubChem CID: 170025265
• Molecular Formula: C32H37N7O4
• Molecular Weight: 583.69 g/mol
• Exact Mass: 583.29
• IUPAC Name: N-[1-[[1-cyano-1-[[1-(5,6-didehydropyridin-3-yl)cyclopropyl]amino]-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
• SMILES: COc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(CC3CCNC3=O)C(C#N)NC3(c4cc#cnc4)CC3)cc12
• InChI: InChI=1S/C32H37N7O4/c1-19(2)14-25(38-31(42)26-16-22-23(36-26)7-4-8-28(22)43-3)30(41)37-24(15-20-9-13-35-29(20)40)27(17-33)39-32(10-11-32)21-6-5-12-34-18-21/h4,6-8,16,18-20,24-25,27,36,39H,9-11,13-15H2,1-3H3,(H,35,40)(H,37,41)(H,38,42)
• InChIKey: QIWDZPKPLGITQD-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 161.03 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	583.69
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-cyano-1-[[1-(5,6-didehydropyridin-3-yl)cyclopropyl]amino]-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide?

The IUPAC name of N-[1-[[1-cyano-1-[[1-(5,6-didehydropyridin-3-yl)cyclopropyl]amino]-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide (CID 170025265) is N-[1-[[1-cyano-1-[[1-(5,6-didehydropyridin-3-yl)cyclopropyl]amino]-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide.

What is the SMILES notation for N-[1-[[1-cyano-1-[[1-(5,6-didehydropyridin-3-yl)cyclopropyl]amino]-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide?

The canonical SMILES for N-[1-[[1-cyano-1-[[1-(5,6-didehydropyridin-3-yl)cyclopropyl]amino]-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide is COc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(CC3CCNC3=O)C(C#N)NC3(c4cc#cnc4)CC3)cc12.

What is the InChIKey of N-[1-[[1-cyano-1-[[1-(5,6-didehydropyridin-3-yl)cyclopropyl]amino]-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide?

The InChIKey is QIWDZPKPLGITQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N7O4/c1-19(2)14-25(38-31(42)26-16-22-23(36-26)7-4-8-28(22)43-3)30(41)37-24(15-20-9-13-35-29(20)40)27(17-33)39-32(10-11-32)21-6-5-12-34-18-21/h4,6-8,16,18-20,24-25,27,36,39H,9-11,13-15H2,1-3H3,(H,35,40)(H,37,41)(H,38,42).

What are the key properties of N-[1-[[1-cyano-1-[[1-(5,6-didehydropyridin-3-yl)cyclopropyl]amino]-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide?

N-[1-[[1-cyano-1-[[1-(5,6-didehydropyridin-3-yl)cyclopropyl]amino]-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide has a molecular weight of 583.69 g/mol, XLogP of 2.50, 13 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[1-cyano-1-[[1-(5,6-didehydropyridin-3-yl)cyclopropyl]amino]-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 170025265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).