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

C34H30FN5O3 — CID 22225399

IUPACN-benzyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide
SMILESCc1nc(N2CCC(C(=O)c3ccc(F)cc3)CC2)nc2c1ccc(=O)n2-c1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C34H30FN5O3/c1-22-29-15-16-30(41)40(28-13-9-26(10-14-28)33(43)36-21-23-5-3-2-4-6-23)32(29)38-34(37-22)39-19-17-25(18-20-39)31(42)24-7-11-27(35)12-8-24/h2-16,25H,17-21H2,1H3,(H,36,43)
InChIKeyPUEZPMZIJGRYLZ-UHFFFAOYSA-N
MW575.64 g/mol
LogP5.26
Rot. Bonds7

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

N-benzyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide (PubChem CID 22225399) has the molecular formula C34H30FN5O3 and a molecular weight of 575.64 g/mol. Its IUPAC name is N-benzyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide
PubChem CID22225399
Molecular FormulaC34H30FN5O3
Molecular Weight575.64 g/mol
Exact Mass575.23
IUPAC NameN-benzyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide
SMILESCc1nc(N2CCC(C(=O)c3ccc(F)cc3)CC2)nc2c1ccc(=O)n2-c1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C34H30FN5O3/c1-22-29-15-16-30(41)40(28-13-9-26(10-14-28)33(43)36-21-23-5-3-2-4-6-23)32(29)38-34(37-22)39-19-17-25(18-20-39)31(42)24-7-11-27(35)12-8-24/h2-16,25H,17-21H2,1H3,(H,36,43)
InChIKeyPUEZPMZIJGRYLZ-UHFFFAOYSA-N
XLogP5.26
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.64
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide?
The IUPAC name of N-benzyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide (CID 22225399) is N-benzyl-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-benzyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide?
The canonical SMILES for N-benzyl-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)NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide?
The InChIKey is PUEZPMZIJGRYLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30FN5O3/c1-22-29-15-16-30(41)40(28-13-9-26(10-14-28)33(43)36-21-23-5-3-2-4-6-23)32(29)38-34(37-22)39-19-17-25(18-20-39)31(42)24-7-11-27(35)12-8-24/h2-16,25H,17-21H2,1H3,(H,36,43).
What are the key properties of N-benzyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide?
N-benzyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide has a molecular weight of 575.64 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-4-methyl-7-oxopyrido[2,3-d]pyrimidin-8-yl]benzamide is sourced from PubChem (CID 22225399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).