1-[2-[3,5-difluoro-4-[3-[(4-methoxycarbonylmorpholin-2-yl)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-1H-imidazol-5-yl]cyclopropane-1-carboxylic acid

C28H27F2N5O5 — CID 166769597

About 1-[2-[3,5-difluoro-4-[3-[(4-methoxycarbonylmorpholin-2-yl)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-1H-imidazol-5-yl]cyclopropane-1-carboxylic acid

1-[2-[3,5-difluoro-4-[3-[(4-methoxycarbonylmorpholin-2-yl)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-1H-imidazol-5-yl]cyclopropane-1-carboxylic acid (PubChem CID 166769597) has the molecular formula C28H27F2N5O5 and a molecular weight of 551.55 g/mol. Its IUPAC name is 1-[2-[3,5-difluoro-4-[3-[(4-methoxycarbonylmorpholin-2-yl)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-1H-imidazol-5-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

• Compound Name: 1-[2-[3,5-difluoro-4-[3-[(4-methoxycarbonylmorpholin-2-yl)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-1H-imidazol-5-yl]cyclopropane-1-carboxylic acid
• PubChem CID: 166769597
• Molecular Formula: C28H27F2N5O5
• Molecular Weight: 551.55 g/mol
• Exact Mass: 551.20
• IUPAC Name: 1-[2-[3,5-difluoro-4-[3-[(4-methoxycarbonylmorpholin-2-yl)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-1H-imidazol-5-yl]cyclopropane-1-carboxylic acid
• SMILES: COC(=O)N1CCOC(Cc2c(-c3c(F)cc(-c4ncc(C5(C(=O)O)CC5)[nH]4)cc3F)nc3cc(C)ccn23)C1
• InChI: InChI=1S/C28H27F2N5O5/c1-15-3-6-35-20(12-17-14-34(7-8-40-17)27(38)39-2)24(33-22(35)9-15)23-18(29)10-16(11-19(23)30)25-31-13-21(32-25)28(4-5-28)26(36)37/h3,6,9-11,13,17H,4-5,7-8,12,14H2,1-2H3,(H,31,32)(H,36,37)
• InChIKey: GZBJGAJYEUHHDR-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 122.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.55
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[2-[3,5-difluoro-4-[3-[(4-methoxycarbonylmorpholin-2-yl)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-1H-imidazol-5-yl]cyclopropane-1-carboxylic acid (CID 166769597) is 1-[2-[3,5-difluoro-4-[3-[(4-methoxycarbonylmorpholin-2-yl)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-1H-imidazol-5-yl]cyclopropane-1-carboxylic acid.

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

The canonical SMILES for 1-[2-[3,5-difluoro-4-[3-[(4-methoxycarbonylmorpholin-2-yl)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-1H-imidazol-5-yl]cyclopropane-1-carboxylic acid is COC(=O)N1CCOC(Cc2c(-c3c(F)cc(-c4ncc(C5(C(=O)O)CC5)[nH]4)cc3F)nc3cc(C)ccn23)C1.

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

The InChIKey is GZBJGAJYEUHHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F2N5O5/c1-15-3-6-35-20(12-17-14-34(7-8-40-17)27(38)39-2)24(33-22(35)9-15)23-18(29)10-16(11-19(23)30)25-31-13-21(32-25)28(4-5-28)26(36)37/h3,6,9-11,13,17H,4-5,7-8,12,14H2,1-2H3,(H,31,32)(H,36,37).

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

1-[2-[3,5-difluoro-4-[3-[(4-methoxycarbonylmorpholin-2-yl)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-1H-imidazol-5-yl]cyclopropane-1-carboxylic acid has a molecular weight of 551.55 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[3,5-difluoro-4-[3-[(4-methoxycarbonylmorpholin-2-yl)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-1H-imidazol-5-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 166769597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).