6-fluoro-3-[4-[2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]cyclohexyl]-1-[3-[4-(2-hydroxyethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione

C36H31F2N5O5 — CID 159176021

About 6-fluoro-3-[4-[2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]cyclohexyl]-1-[3-[4-(2-hydroxyethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione

6-fluoro-3-[4-[2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]cyclohexyl]-1-[3-[4-(2-hydroxyethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 159176021) has the molecular formula C36H31F2N5O5 and a molecular weight of 651.67 g/mol. Its IUPAC name is 6-fluoro-3-[4-[2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]cyclohexyl]-1-[3-[4-(2-hydroxyethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 6-fluoro-3-[4-[2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]cyclohexyl]-1-[3-[4-(2-hydroxyethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione
• PubChem CID: 159176021
• Molecular Formula: C36H31F2N5O5
• Molecular Weight: 651.67 g/mol
• Exact Mass: 651.23
• IUPAC Name: 6-fluoro-3-[4-[2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]cyclohexyl]-1-[3-[4-(2-hydroxyethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione
• SMILES: O=C(CC1CCC(n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccc(OCCO)cc4)c3)c2=O)CC1)c1cn2cc(F)ccc2n1
• InChI: InChI=1S/C36H31F2N5O5/c37-25-8-13-33-40-31(21-41(33)20-25)32(45)16-22-4-9-27(10-5-22)43-35(46)30-18-26(38)19-39-34(30)42(36(43)47)28-3-1-2-24(17-28)23-6-11-29(12-7-23)48-15-14-44/h1-3,6-8,11-13,17-22,27,44H,4-5,9-10,14-16H2
• InChIKey: KMHBQZSYRONMID-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 120.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	651.67
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[4-[2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]cyclohexyl]-1-[3-[4-(2-hydroxyethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione?

The IUPAC name of 6-fluoro-3-[4-[2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]cyclohexyl]-1-[3-[4-(2-hydroxyethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione (CID 159176021) is 6-fluoro-3-[4-[2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]cyclohexyl]-1-[3-[4-(2-hydroxyethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione.

What is the SMILES notation for 6-fluoro-3-[4-[2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]cyclohexyl]-1-[3-[4-(2-hydroxyethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione?

The canonical SMILES for 6-fluoro-3-[4-[2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]cyclohexyl]-1-[3-[4-(2-hydroxyethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione is O=C(CC1CCC(n2c(=O)c3cc(F)cnc3n(-c3cccc(-c4ccc(OCCO)cc4)c3)c2=O)CC1)c1cn2cc(F)ccc2n1.

What is the InChIKey of 6-fluoro-3-[4-[2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]cyclohexyl]-1-[3-[4-(2-hydroxyethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione?

The InChIKey is KMHBQZSYRONMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31F2N5O5/c37-25-8-13-33-40-31(21-41(33)20-25)32(45)16-22-4-9-27(10-5-22)43-35(46)30-18-26(38)19-39-34(30)42(36(43)47)28-3-1-2-24(17-28)23-6-11-29(12-7-23)48-15-14-44/h1-3,6-8,11-13,17-22,27,44H,4-5,9-10,14-16H2.

What are the key properties of 6-fluoro-3-[4-[2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]cyclohexyl]-1-[3-[4-(2-hydroxyethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione?

6-fluoro-3-[4-[2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]cyclohexyl]-1-[3-[4-(2-hydroxyethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 651.67 g/mol, XLogP of 5.52, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-3-[4-[2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]cyclohexyl]-1-[3-[4-(2-hydroxyethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 159176021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).