1-[2-methyl-5-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one

C25H29N5O2 — CID 53191198

About 1-[2-methyl-5-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one

1-[2-methyl-5-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one (PubChem CID 53191198) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 1-[2-methyl-5-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[2-methyl-5-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
• PubChem CID: 53191198
• Molecular Formula: C25H29N5O2
• Molecular Weight: 431.54 g/mol
• Exact Mass: 431.23
• IUPAC Name: 1-[2-methyl-5-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
• SMILES: CCCn1c(C2CCN(C(=O)c3ccc(C)c(N4CCCC4=O)c3)C2)nc2cccnc21
• InChI: InChI=1S/C25H29N5O2/c1-3-12-30-23(27-20-6-4-11-26-24(20)30)19-10-14-28(16-19)25(32)18-9-8-17(2)21(15-18)29-13-5-7-22(29)31/h4,6,8-9,11,15,19H,3,5,7,10,12-14,16H2,1-2H3
• InChIKey: NJVKYSZSBDZNGR-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 71.33 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.54
LogP ≤ 5	3.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one?

The IUPAC name of 1-[2-methyl-5-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one (CID 53191198) is 1-[2-methyl-5-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one.

What is the SMILES notation for 1-[2-methyl-5-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one?

The canonical SMILES for 1-[2-methyl-5-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one is CCCn1c(C2CCN(C(=O)c3ccc(C)c(N4CCCC4=O)c3)C2)nc2cccnc21.

What is the InChIKey of 1-[2-methyl-5-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one?

The InChIKey is NJVKYSZSBDZNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-3-12-30-23(27-20-6-4-11-26-24(20)30)19-10-14-28(16-19)25(32)18-9-8-17(2)21(15-18)29-13-5-7-22(29)31/h4,6,8-9,11,15,19H,3,5,7,10,12-14,16H2,1-2H3.

What are the key properties of 1-[2-methyl-5-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one?

1-[2-methyl-5-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one has a molecular weight of 431.54 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-methyl-5-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 53191198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).