N-[(2,4-difluorophenyl)methyl]-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide

C34H28F3N5O3 — CID 22225424

About N-[(2,4-difluorophenyl)methyl]-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide

N-[(2,4-difluorophenyl)methyl]-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide (PubChem CID 22225424) has the molecular formula C34H28F3N5O3 and a molecular weight of 611.62 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide.

Molecular Properties

• Compound Name: N-[(2,4-difluorophenyl)methyl]-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide
• PubChem CID: 22225424
• Molecular Formula: C34H28F3N5O3
• Molecular Weight: 611.62 g/mol
• Exact Mass: 611.21
• IUPAC Name: N-[(2,4-difluorophenyl)methyl]-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide
• SMILES: Cc1nc(N2CCC(C(=O)c3ccc(F)cc3)CC2)nc2c1ccc(=O)n2-c1ccc(C(=O)NCc2ccc(F)cc2F)cc1
• InChI: InChI=1S/C34H28F3N5O3/c1-20-28-12-13-30(43)42(27-10-5-23(6-11-27)33(45)38-19-24-4-9-26(36)18-29(24)37)32(28)40-34(39-20)41-16-14-22(15-17-41)31(44)21-2-7-25(35)8-3-21/h2-13,18,22H,14-17,19H2,1H3,(H,38,45)
• InChIKey: GBVIMJFKVDHIAX-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 97.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.62
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide?

The IUPAC name of N-[(2,4-difluorophenyl)methyl]-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide (CID 22225424) is N-[(2,4-difluorophenyl)methyl]-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide.

What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide?

The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide is Cc1nc(N2CCC(C(=O)c3ccc(F)cc3)CC2)nc2c1ccc(=O)n2-c1ccc(C(=O)NCc2ccc(F)cc2F)cc1.

What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide?

The InChIKey is GBVIMJFKVDHIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H28F3N5O3/c1-20-28-12-13-30(43)42(27-10-5-23(6-11-27)33(45)38-19-24-4-9-26(36)18-29(24)37)32(28)40-34(39-20)41-16-14-22(15-17-41)31(44)21-2-7-25(35)8-3-21/h2-13,18,22H,14-17,19H2,1H3,(H,38,45).

What are the key properties of N-[(2,4-difluorophenyl)methyl]-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide?

N-[(2,4-difluorophenyl)methyl]-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide has a molecular weight of 611.62 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,4-difluorophenyl)methyl]-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide is sourced from PubChem (CID 22225424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).