(3R)-5-[(1R)-1-cyclopropyl-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]ethyl]-7-(3-fluoro-4-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

C33H34FN5O4 — CID 169241039

About (3R)-5-[(1R)-1-cyclopropyl-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]ethyl]-7-(3-fluoro-4-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-5-[(1R)-1-cyclopropyl-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]ethyl]-7-(3-fluoro-4-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 169241039) has the molecular formula C33H34FN5O4 and a molecular weight of 583.66 g/mol. Its IUPAC name is (3R)-5-[(1R)-1-cyclopropyl-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]ethyl]-7-(3-fluoro-4-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-5-[(1R)-1-cyclopropyl-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]ethyl]-7-(3-fluoro-4-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 169241039
• Molecular Formula: C33H34FN5O4
• Molecular Weight: 583.66 g/mol
• Exact Mass: 583.26
• IUPAC Name: (3R)-5-[(1R)-1-cyclopropyl-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]ethyl]-7-(3-fluoro-4-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• SMILES: COc1cc(C(=O)NC[C@H](c2cc3c(c(-c4ccc(C)c(F)c4)n2)OC[C@]3(C)C(N)=O)C2CC2)cn2cc(C3CC3)nc12
• InChI: InChI=1S/C33H34FN5O4/c1-17-4-5-20(10-24(17)34)28-29-23(33(2,16-43-29)32(35)41)12-25(37-28)22(18-6-7-18)13-36-31(40)21-11-27(42-3)30-38-26(19-8-9-19)15-39(30)14-21/h4-5,10-12,14-15,18-19,22H,6-9,13,16H2,1-3H3,(H2,35,41)(H,36,40)/t22-,33-/m0/s1
• InChIKey: HCXKOKJEJRGGCG-KATKFWMUSA-N
• XLogP: 4.79
• TPSA: 120.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	583.66
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[(1R)-1-cyclopropyl-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]ethyl]-7-(3-fluoro-4-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The IUPAC name of (3R)-5-[(1R)-1-cyclopropyl-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]ethyl]-7-(3-fluoro-4-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 169241039) is (3R)-5-[(1R)-1-cyclopropyl-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]ethyl]-7-(3-fluoro-4-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for (3R)-5-[(1R)-1-cyclopropyl-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]ethyl]-7-(3-fluoro-4-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for (3R)-5-[(1R)-1-cyclopropyl-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]ethyl]-7-(3-fluoro-4-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is COc1cc(C(=O)NC[C@H](c2cc3c(c(-c4ccc(C)c(F)c4)n2)OC[C@]3(C)C(N)=O)C2CC2)cn2cc(C3CC3)nc12.

What is the InChIKey of (3R)-5-[(1R)-1-cyclopropyl-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]ethyl]-7-(3-fluoro-4-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The InChIKey is HCXKOKJEJRGGCG-KATKFWMUSA-N. The full InChI is InChI=1S/C33H34FN5O4/c1-17-4-5-20(10-24(17)34)28-29-23(33(2,16-43-29)32(35)41)12-25(37-28)22(18-6-7-18)13-36-31(40)21-11-27(42-3)30-38-26(19-8-9-19)15-39(30)14-21/h4-5,10-12,14-15,18-19,22H,6-9,13,16H2,1-3H3,(H2,35,41)(H,36,40)/t22-,33-/m0/s1.

What are the key properties of (3R)-5-[(1R)-1-cyclopropyl-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]ethyl]-7-(3-fluoro-4-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

(3R)-5-[(1R)-1-cyclopropyl-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]ethyl]-7-(3-fluoro-4-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 583.66 g/mol, XLogP of 4.79, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-5-[(1R)-1-cyclopropyl-2-[(2-cyclopropyl-8-methoxyimidazo[1,2-a]pyridine-6-carbonyl)amino]ethyl]-7-(3-fluoro-4-methylphenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 169241039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).