N-[1-[[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-methoxy-3H-imidazo[4,5-c]pyridine-2-carboxamide

C21H25N7O4 — CID 166494741

About N-[1-[[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-methoxy-3H-imidazo[4,5-c]pyridine-2-carboxamide

N-[1-[[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-methoxy-3H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 166494741) has the molecular formula C21H25N7O4 and a molecular weight of 439.48 g/mol. Its IUPAC name is N-[1-[[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-methoxy-3H-imidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-methoxy-3H-imidazo[4,5-c]pyridine-2-carboxamide
• PubChem CID: 166494741
• Molecular Formula: C21H25N7O4
• Molecular Weight: 439.48 g/mol
• Exact Mass: 439.20
• IUPAC Name: N-[1-[[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-methoxy-3H-imidazo[4,5-c]pyridine-2-carboxamide
• SMILES: COc1cncc2[nH]c(C(=O)NC(CC3CC3)C(=O)NC(C#N)CC3CCNC3=O)nc12
• InChI: InChI=1S/C21H25N7O4/c1-32-16-10-23-9-15-17(16)28-18(26-15)21(31)27-14(6-11-2-3-11)20(30)25-13(8-22)7-12-4-5-24-19(12)29/h9-14H,2-7H2,1H3,(H,24,29)(H,25,30)(H,26,28)(H,27,31)
• InChIKey: IEPIXKDRZCUBFA-UHFFFAOYSA-N
• XLogP: 0.40
• TPSA: 161.89 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.48
LogP ≤ 5	0.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

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]-7-methoxy-3H-imidazo[4,5-c]pyridine-2-carboxamide?

The IUPAC name of N-[1-[[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-methoxy-3H-imidazo[4,5-c]pyridine-2-carboxamide (CID 166494741) is N-[1-[[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-methoxy-3H-imidazo[4,5-c]pyridine-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]-7-methoxy-3H-imidazo[4,5-c]pyridine-2-carboxamide?

The canonical SMILES for N-[1-[[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-methoxy-3H-imidazo[4,5-c]pyridine-2-carboxamide is COc1cncc2[nH]c(C(=O)NC(CC3CC3)C(=O)NC(C#N)CC3CCNC3=O)nc12.

What is the InChIKey of N-[1-[[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-methoxy-3H-imidazo[4,5-c]pyridine-2-carboxamide?

The InChIKey is IEPIXKDRZCUBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O4/c1-32-16-10-23-9-15-17(16)28-18(26-15)21(31)27-14(6-11-2-3-11)20(30)25-13(8-22)7-12-4-5-24-19(12)29/h9-14H,2-7H2,1H3,(H,24,29)(H,25,30)(H,26,28)(H,27,31).

What are the key properties of N-[1-[[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-methoxy-3H-imidazo[4,5-c]pyridine-2-carboxamide?

N-[1-[[1-cyano-2-(2-oxopyrrolidin-3-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-7-methoxy-3H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 439.48 g/mol, XLogP of 0.40, 9 rotatable bonds, 4 hydrogen bond donors, and 7 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]-7-methoxy-3H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 166494741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).