7-chloro-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-(1-methylcyclopropyl)-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide

C26H32ClN5O4 — CID 166892931

About 7-chloro-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-(1-methylcyclopropyl)-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide

7-chloro-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-(1-methylcyclopropyl)-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide (PubChem CID 166892931) has the molecular formula C26H32ClN5O4 and a molecular weight of 514.03 g/mol. Its IUPAC name is 7-chloro-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-(1-methylcyclopropyl)-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 7-chloro-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-(1-methylcyclopropyl)-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide
• PubChem CID: 166892931
• Molecular Formula: C26H32ClN5O4
• Molecular Weight: 514.03 g/mol
• Exact Mass: 513.21
• IUPAC Name: 7-chloro-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-(1-methylcyclopropyl)-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide
• SMILES: COc1cc(Cl)c2[nH]c(C(=O)NC(CC3(C)CC3)C(=O)NC(C#N)CC3CC(C)(C)NC3=O)cc2c1
• InChI: InChI=1S/C26H32ClN5O4/c1-25(2)11-15(22(33)32-25)7-16(13-28)29-24(35)20(12-26(3)5-6-26)31-23(34)19-9-14-8-17(36-4)10-18(27)21(14)30-19/h8-10,15-16,20,30H,5-7,11-12H2,1-4H3,(H,29,35)(H,31,34)(H,32,33)
• InChIKey: PYFIOFKYQCXLQA-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 136.11 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	514.03
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-(1-methylcyclopropyl)-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide?

The IUPAC name of 7-chloro-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-(1-methylcyclopropyl)-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide (CID 166892931) is 7-chloro-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-(1-methylcyclopropyl)-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide.

What is the SMILES notation for 7-chloro-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-(1-methylcyclopropyl)-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide?

The canonical SMILES for 7-chloro-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-(1-methylcyclopropyl)-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide is COc1cc(Cl)c2[nH]c(C(=O)NC(CC3(C)CC3)C(=O)NC(C#N)CC3CC(C)(C)NC3=O)cc2c1.

What is the InChIKey of 7-chloro-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-(1-methylcyclopropyl)-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide?

The InChIKey is PYFIOFKYQCXLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32ClN5O4/c1-25(2)11-15(22(33)32-25)7-16(13-28)29-24(35)20(12-26(3)5-6-26)31-23(34)19-9-14-8-17(36-4)10-18(27)21(14)30-19/h8-10,15-16,20,30H,5-7,11-12H2,1-4H3,(H,29,35)(H,31,34)(H,32,33).

What are the key properties of 7-chloro-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-(1-methylcyclopropyl)-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide?

7-chloro-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-(1-methylcyclopropyl)-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide has a molecular weight of 514.03 g/mol, XLogP of 3.43, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-(1-methylcyclopropyl)-1-oxopropan-2-yl]-5-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 166892931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).