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

C28H27F2N5O5 — CID 166774987

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

1-[1-[3,5-difluoro-4-[3-[(4-methoxycarbonylmorpholin-2-yl)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]imidazol-4-yl]cyclopropane-1-carboxylic acid (PubChem CID 166774987) has the molecular formula C28H27F2N5O5 and a molecular weight of 551.55 g/mol. Its IUPAC name is 1-[1-[3,5-difluoro-4-[3-[(4-methoxycarbonylmorpholin-2-yl)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]imidazol-4-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

• Compound Name: 1-[1-[3,5-difluoro-4-[3-[(4-methoxycarbonylmorpholin-2-yl)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]imidazol-4-yl]cyclopropane-1-carboxylic acid
• PubChem CID: 166774987
• Molecular Formula: C28H27F2N5O5
• Molecular Weight: 551.55 g/mol
• Exact Mass: 551.20
• IUPAC Name: 1-[1-[3,5-difluoro-4-[3-[(4-methoxycarbonylmorpholin-2-yl)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]imidazol-4-yl]cyclopropane-1-carboxylic acid
• SMILES: COC(=O)N1CCOC(Cc2c(-c3c(F)cc(-n4cnc(C5(C(=O)O)CC5)c4)cc3F)nc3cc(C)ccn23)C1
• InChI: InChI=1S/C28H27F2N5O5/c1-16-3-6-35-21(12-18-13-33(7-8-40-18)27(38)39-2)25(32-23(35)9-16)24-19(29)10-17(11-20(24)30)34-14-22(31-15-34)28(4-5-28)26(36)37/h3,6,9-11,14-15,18H,4-5,7-8,12-13H2,1-2H3,(H,36,37)
• InChIKey: BAZTYLNIKJKEKE-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 111.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.55
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-[1-[3,5-difluoro-4-[3-[(4-methoxycarbonylmorpholin-2-yl)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]imidazol-4-yl]cyclopropane-1-carboxylic acid (CID 166774987) is 1-[1-[3,5-difluoro-4-[3-[(4-methoxycarbonylmorpholin-2-yl)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]imidazol-4-yl]cyclopropane-1-carboxylic acid.

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

The canonical SMILES for 1-[1-[3,5-difluoro-4-[3-[(4-methoxycarbonylmorpholin-2-yl)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]imidazol-4-yl]cyclopropane-1-carboxylic acid is COC(=O)N1CCOC(Cc2c(-c3c(F)cc(-n4cnc(C5(C(=O)O)CC5)c4)cc3F)nc3cc(C)ccn23)C1.

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

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

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

1-[1-[3,5-difluoro-4-[3-[(4-methoxycarbonylmorpholin-2-yl)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]imidazol-4-yl]cyclopropane-1-carboxylic acid has a molecular weight of 551.55 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[3,5-difluoro-4-[3-[(4-methoxycarbonylmorpholin-2-yl)methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]imidazol-4-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 166774987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).