N-[1-[[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(cyclopropen-1-yl)-1H-indole-2-carboxamide

C25H27N5O3 — CID 163499169

About N-[1-[[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(cyclopropen-1-yl)-1H-indole-2-carboxamide

N-[1-[[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(cyclopropen-1-yl)-1H-indole-2-carboxamide (PubChem CID 163499169) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[1-[[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(cyclopropen-1-yl)-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(cyclopropen-1-yl)-1H-indole-2-carboxamide
• PubChem CID: 163499169
• Molecular Formula: C25H27N5O3
• Molecular Weight: 445.52 g/mol
• Exact Mass: 445.21
• IUPAC Name: N-[1-[[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(cyclopropen-1-yl)-1H-indole-2-carboxamide
• SMILES: N#CC(CC1CCNC1=O)NC(=O)C(CC1CC1)NC(=O)c1cc2c(C3=CC3)cccc2[nH]1
• InChI: InChI=1S/C25H27N5O3/c26-13-17(11-16-8-9-27-23(16)31)28-24(32)21(10-14-4-5-14)30-25(33)22-12-19-18(15-6-7-15)2-1-3-20(19)29-22/h1-3,6,12,14,16-17,21,29H,4-5,7-11H2,(H,27,31)(H,28,32)(H,30,33)
• InChIKey: CTFQKDBEAWNIRD-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 126.88 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.52
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(cyclopropen-1-yl)-1H-indole-2-carboxamide?

The IUPAC name of N-[1-[[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(cyclopropen-1-yl)-1H-indole-2-carboxamide (CID 163499169) is N-[1-[[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(cyclopropen-1-yl)-1H-indole-2-carboxamide.

What is the SMILES notation for N-[1-[[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(cyclopropen-1-yl)-1H-indole-2-carboxamide?

The canonical SMILES for N-[1-[[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(cyclopropen-1-yl)-1H-indole-2-carboxamide is N#CC(CC1CCNC1=O)NC(=O)C(CC1CC1)NC(=O)c1cc2c(C3=CC3)cccc2[nH]1.

What is the InChIKey of N-[1-[[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(cyclopropen-1-yl)-1H-indole-2-carboxamide?

The InChIKey is CTFQKDBEAWNIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c26-13-17(11-16-8-9-27-23(16)31)28-24(32)21(10-14-4-5-14)30-25(33)22-12-19-18(15-6-7-15)2-1-3-20(19)29-22/h1-3,6,12,14,16-17,21,29H,4-5,7-11H2,(H,27,31)(H,28,32)(H,30,33).

What are the key properties of N-[1-[[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(cyclopropen-1-yl)-1H-indole-2-carboxamide?

N-[1-[[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(cyclopropen-1-yl)-1H-indole-2-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 2.39, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-4-(cyclopropen-1-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 163499169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).