(1R)-2-fluoro-N-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide

C26H29FN8O3 — CID 134456735

About (1R)-2-fluoro-N-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide

(1R)-2-fluoro-N-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide (PubChem CID 134456735) has the molecular formula C26H29FN8O3 and a molecular weight of 520.57 g/mol. Its IUPAC name is (1R)-2-fluoro-N-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: (1R)-2-fluoro-N-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide
• PubChem CID: 134456735
• Molecular Formula: C26H29FN8O3
• Molecular Weight: 520.57 g/mol
• Exact Mass: 520.23
• IUPAC Name: (1R)-2-fluoro-N-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide
• SMILES: COc1c(Nc2cc(NC(=O)[C@H]3CC3F)nc3c2nc(C)n3C2CCCCO2)cccc1-c1ncn(C)n1
• InChI: InChI=1S/C26H29FN8O3/c1-14-29-22-19(30-18-8-6-7-15(23(18)37-3)24-28-13-34(2)33-24)12-20(32-26(36)16-11-17(16)27)31-25(22)35(14)21-9-4-5-10-38-21/h6-8,12-13,16-17,21H,4-5,9-11H2,1-3H3,(H2,30,31,32,36)/t16-,17?,21?/m0/s1
• InChIKey: FHUPQOVSXKJYRQ-BQJIDLTASA-N
• XLogP: 4.28
• TPSA: 121.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.57
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (1R)-2-fluoro-N-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide?

The IUPAC name of (1R)-2-fluoro-N-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide (CID 134456735) is (1R)-2-fluoro-N-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide.

What is the SMILES notation for (1R)-2-fluoro-N-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide?

The canonical SMILES for (1R)-2-fluoro-N-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide is COc1c(Nc2cc(NC(=O)[C@H]3CC3F)nc3c2nc(C)n3C2CCCCO2)cccc1-c1ncn(C)n1.

What is the InChIKey of (1R)-2-fluoro-N-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide?

The InChIKey is FHUPQOVSXKJYRQ-BQJIDLTASA-N. The full InChI is InChI=1S/C26H29FN8O3/c1-14-29-22-19(30-18-8-6-7-15(23(18)37-3)24-28-13-34(2)33-24)12-20(32-26(36)16-11-17(16)27)31-25(22)35(14)21-9-4-5-10-38-21/h6-8,12-13,16-17,21H,4-5,9-11H2,1-3H3,(H2,30,31,32,36)/t16-,17?,21?/m0/s1.

What are the key properties of (1R)-2-fluoro-N-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide?

(1R)-2-fluoro-N-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide has a molecular weight of 520.57 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-2-fluoro-N-[7-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 134456735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).