7-chloro-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-fluoro-4-methoxy-1H-indole-2-carboxamide

C25H29ClFN5O4 — CID 166840257

About 7-chloro-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-fluoro-4-methoxy-1H-indole-2-carboxamide

7-chloro-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-fluoro-4-methoxy-1H-indole-2-carboxamide (PubChem CID 166840257) has the molecular formula C25H29ClFN5O4 and a molecular weight of 517.99 g/mol. Its IUPAC name is 7-chloro-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-fluoro-4-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-cyclopropyl-1-oxopropan-2-yl]-6-fluoro-4-methoxy-1H-indole-2-carboxamide
• PubChem CID: 166840257
• Molecular Formula: C25H29ClFN5O4
• Molecular Weight: 517.99 g/mol
• Exact Mass: 517.19
• IUPAC Name: 7-chloro-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-fluoro-4-methoxy-1H-indole-2-carboxamide
• SMILES: COc1cc(F)c(Cl)c2[nH]c(C(=O)NC(CC3CC3)C(=O)NC(C#N)CC3CC(C)(C)NC3=O)cc12
• InChI: InChI=1S/C25H29ClFN5O4/c1-25(2)10-13(22(33)32-25)7-14(11-28)29-23(34)17(6-12-4-5-12)31-24(35)18-8-15-19(36-3)9-16(27)20(26)21(15)30-18/h8-9,12-14,17,30H,4-7,10H2,1-3H3,(H,29,34)(H,31,35)(H,32,33)
• InChIKey: KJJVFLDXZYWJAM-UHFFFAOYSA-N
• XLogP: 3.18
• 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	517.99
LogP ≤ 5	3.18
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-cyclopropyl-1-oxopropan-2-yl]-6-fluoro-4-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-cyclopropyl-1-oxopropan-2-yl]-6-fluoro-4-methoxy-1H-indole-2-carboxamide (CID 166840257) is 7-chloro-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-fluoro-4-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-cyclopropyl-1-oxopropan-2-yl]-6-fluoro-4-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-cyclopropyl-1-oxopropan-2-yl]-6-fluoro-4-methoxy-1H-indole-2-carboxamide is COc1cc(F)c(Cl)c2[nH]c(C(=O)NC(CC3CC3)C(=O)NC(C#N)CC3CC(C)(C)NC3=O)cc12.

What is the InChIKey of 7-chloro-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-fluoro-4-methoxy-1H-indole-2-carboxamide?

The InChIKey is KJJVFLDXZYWJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClFN5O4/c1-25(2)10-13(22(33)32-25)7-14(11-28)29-23(34)17(6-12-4-5-12)31-24(35)18-8-15-19(36-3)9-16(27)20(26)21(15)30-18/h8-9,12-14,17,30H,4-7,10H2,1-3H3,(H,29,34)(H,31,35)(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-cyclopropyl-1-oxopropan-2-yl]-6-fluoro-4-methoxy-1H-indole-2-carboxamide?

7-chloro-N-[1-[[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-6-fluoro-4-methoxy-1H-indole-2-carboxamide has a molecular weight of 517.99 g/mol, XLogP of 3.18, 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-cyclopropyl-1-oxopropan-2-yl]-6-fluoro-4-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 166840257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).