6-fluoro-N-[4-[6-methyl-2,4-dioxo-1-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide

C40H40FN7O4 — CID 143720328

About 6-fluoro-N-[4-[6-methyl-2,4-dioxo-1-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide

6-fluoro-N-[4-[6-methyl-2,4-dioxo-1-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 143720328) has the molecular formula C40H40FN7O4 and a molecular weight of 701.80 g/mol. Its IUPAC name is 6-fluoro-N-[4-[6-methyl-2,4-dioxo-1-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-fluoro-N-[4-[6-methyl-2,4-dioxo-1-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide
• PubChem CID: 143720328
• Molecular Formula: C40H40FN7O4
• Molecular Weight: 701.80 g/mol
• Exact Mass: 701.31
• IUPAC Name: 6-fluoro-N-[4-[6-methyl-2,4-dioxo-1-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide
• SMILES: Cc1cnc2c(c1)c(=O)n(C1CCC(NC(=O)c3cn4cc(F)ccc4n3)CC1)c(=O)n2-c1cccc(-c2ccc(OCCN3CCCC3)cc2)c1
• InChI: InChI=1S/C40H40FN7O4/c1-26-21-34-37(42-23-26)47(32-6-4-5-28(22-32)27-7-14-33(15-8-27)52-20-19-45-17-2-3-18-45)40(51)48(39(34)50)31-12-10-30(11-13-31)43-38(49)35-25-46-24-29(41)9-16-36(46)44-35/h4-9,14-16,21-25,30-31H,2-3,10-13,17-20H2,1H3,(H,43,49)
• InChIKey: MEZRNOWZUZDBSC-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 115.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	701.80
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[4-[6-methyl-2,4-dioxo-1-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide?

The IUPAC name of 6-fluoro-N-[4-[6-methyl-2,4-dioxo-1-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 143720328) is 6-fluoro-N-[4-[6-methyl-2,4-dioxo-1-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide.

What is the SMILES notation for 6-fluoro-N-[4-[6-methyl-2,4-dioxo-1-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide?

The canonical SMILES for 6-fluoro-N-[4-[6-methyl-2,4-dioxo-1-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide is Cc1cnc2c(c1)c(=O)n(C1CCC(NC(=O)c3cn4cc(F)ccc4n3)CC1)c(=O)n2-c1cccc(-c2ccc(OCCN3CCCC3)cc2)c1.

What is the InChIKey of 6-fluoro-N-[4-[6-methyl-2,4-dioxo-1-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide?

The InChIKey is MEZRNOWZUZDBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H40FN7O4/c1-26-21-34-37(42-23-26)47(32-6-4-5-28(22-32)27-7-14-33(15-8-27)52-20-19-45-17-2-3-18-45)40(51)48(39(34)50)31-12-10-30(11-13-31)43-38(49)35-25-46-24-29(41)9-16-36(46)44-35/h4-9,14-16,21-25,30-31H,2-3,10-13,17-20H2,1H3,(H,43,49).

What are the key properties of 6-fluoro-N-[4-[6-methyl-2,4-dioxo-1-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide?

6-fluoro-N-[4-[6-methyl-2,4-dioxo-1-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 701.80 g/mol, XLogP of 5.70, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-N-[4-[6-methyl-2,4-dioxo-1-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]pyrido[2,3-d]pyrimidin-3-yl]cyclohexyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 143720328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).