6-[3,5-difluoro-4-[3-[[(2S)-4-methoxycarbonylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]pyridine-3-carboxylic acid

C27H24F2N4O5 — CID 154965271

About 6-[3,5-difluoro-4-[3-[[(2S)-4-methoxycarbonylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]pyridine-3-carboxylic acid

6-[3,5-difluoro-4-[3-[[(2S)-4-methoxycarbonylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]pyridine-3-carboxylic acid (PubChem CID 154965271) has the molecular formula C27H24F2N4O5 and a molecular weight of 522.51 g/mol. Its IUPAC name is 6-[3,5-difluoro-4-[3-[[(2S)-4-methoxycarbonylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-[3,5-difluoro-4-[3-[[(2S)-4-methoxycarbonylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]pyridine-3-carboxylic acid
• PubChem CID: 154965271
• Molecular Formula: C27H24F2N4O5
• Molecular Weight: 522.51 g/mol
• Exact Mass: 522.17
• IUPAC Name: 6-[3,5-difluoro-4-[3-[[(2S)-4-methoxycarbonylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]pyridine-3-carboxylic acid
• SMILES: COC(=O)N1CCO[C@@H](Cc2c(-c3c(F)cc(-c4ccc(C(=O)O)cn4)cc3F)nc3cc(C)ccn23)C1
• InChI: InChI=1S/C27H24F2N4O5/c1-15-5-6-33-22(12-18-14-32(7-8-38-18)27(36)37-2)25(31-23(33)9-15)24-19(28)10-17(11-20(24)29)21-4-3-16(13-30-21)26(34)35/h3-6,9-11,13,18H,7-8,12,14H2,1-2H3,(H,34,35)/t18-/m0/s1
• InChIKey: AUQQRSKFELDPDA-SFHVURJKSA-N
• XLogP: 4.36
• TPSA: 106.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.51
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[3,5-difluoro-4-[3-[[(2S)-4-methoxycarbonylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]pyridine-3-carboxylic acid?

The IUPAC name of 6-[3,5-difluoro-4-[3-[[(2S)-4-methoxycarbonylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]pyridine-3-carboxylic acid (CID 154965271) is 6-[3,5-difluoro-4-[3-[[(2S)-4-methoxycarbonylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]pyridine-3-carboxylic acid.

What is the SMILES notation for 6-[3,5-difluoro-4-[3-[[(2S)-4-methoxycarbonylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]pyridine-3-carboxylic acid?

The canonical SMILES for 6-[3,5-difluoro-4-[3-[[(2S)-4-methoxycarbonylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]pyridine-3-carboxylic acid is COC(=O)N1CCO[C@@H](Cc2c(-c3c(F)cc(-c4ccc(C(=O)O)cn4)cc3F)nc3cc(C)ccn23)C1.

What is the InChIKey of 6-[3,5-difluoro-4-[3-[[(2S)-4-methoxycarbonylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]pyridine-3-carboxylic acid?

The InChIKey is AUQQRSKFELDPDA-SFHVURJKSA-N. The full InChI is InChI=1S/C27H24F2N4O5/c1-15-5-6-33-22(12-18-14-32(7-8-38-18)27(36)37-2)25(31-23(33)9-15)24-19(28)10-17(11-20(24)29)21-4-3-16(13-30-21)26(34)35/h3-6,9-11,13,18H,7-8,12,14H2,1-2H3,(H,34,35)/t18-/m0/s1.

What are the key properties of 6-[3,5-difluoro-4-[3-[[(2S)-4-methoxycarbonylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]pyridine-3-carboxylic acid?

6-[3,5-difluoro-4-[3-[[(2S)-4-methoxycarbonylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]pyridine-3-carboxylic acid has a molecular weight of 522.51 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3,5-difluoro-4-[3-[[(2S)-4-methoxycarbonylmorpholin-2-yl]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 154965271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).