[4-[4-[(4-chloro-2-fluorophenyl)methylamino]pyrido[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone

C24H27ClFN7O — CID 10254731

IUPAC[4-[4-[(4-chloro-2-fluorophenyl)methylamino]pyrido[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone
SMILESO=C([C@H]1CCCCN1)N1CCN(c2nc(NCc3ccc(Cl)cc3F)c3cccnc3n2)CC1
InChIInChI=1S/C24H27ClFN7O/c25-17-7-6-16(19(26)14-17)15-29-22-18-4-3-9-28-21(18)30-24(31-22)33-12-10-32(11-13-33)23(34)20-5-1-2-8-27-20/h3-4,6-7,9,14,20,27H,1-2,5,8,10-13,15H2,(H,28,29,30,31)/t20-/m1/s1
InChIKeyRPGUGQIXGGFXIR-HXUWFJFHSA-N
MW483.98 g/mol
LogP3.22
Rot. Bonds5

About [4-[4-[(4-chloro-2-fluorophenyl)methylamino]pyrido[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone

[4-[4-[(4-chloro-2-fluorophenyl)methylamino]pyrido[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone (PubChem CID 10254731) has the molecular formula C24H27ClFN7O and a molecular weight of 483.98 g/mol. Its IUPAC name is [4-[4-[(4-chloro-2-fluorophenyl)methylamino]pyrido[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone.

Molecular Properties

Compound Name[4-[4-[(4-chloro-2-fluorophenyl)methylamino]pyrido[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone
PubChem CID10254731
Molecular FormulaC24H27ClFN7O
Molecular Weight483.98 g/mol
Exact Mass483.19
IUPAC Name[4-[4-[(4-chloro-2-fluorophenyl)methylamino]pyrido[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone
SMILESO=C([C@H]1CCCCN1)N1CCN(c2nc(NCc3ccc(Cl)cc3F)c3cccnc3n2)CC1
InChIInChI=1S/C24H27ClFN7O/c25-17-7-6-16(19(26)14-17)15-29-22-18-4-3-9-28-21(18)30-24(31-22)33-12-10-32(11-13-33)23(34)20-5-1-2-8-27-20/h3-4,6-7,9,14,20,27H,1-2,5,8,10-13,15H2,(H,28,29,30,31)/t20-/m1/s1
InChIKeyRPGUGQIXGGFXIR-HXUWFJFHSA-N
XLogP3.22
TPSA86.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.98
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-[4-[(4-chloro-2-fluorophenyl)methylamino]pyrido[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[4-[(4-chloro-2-fluorophenyl)methylamino]pyrido[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone?
The IUPAC name of [4-[4-[(4-chloro-2-fluorophenyl)methylamino]pyrido[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone (CID 10254731) is [4-[4-[(4-chloro-2-fluorophenyl)methylamino]pyrido[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone.
What is the SMILES notation for [4-[4-[(4-chloro-2-fluorophenyl)methylamino]pyrido[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone?
The canonical SMILES for [4-[4-[(4-chloro-2-fluorophenyl)methylamino]pyrido[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone is O=C([C@H]1CCCCN1)N1CCN(c2nc(NCc3ccc(Cl)cc3F)c3cccnc3n2)CC1.
What is the InChIKey of [4-[4-[(4-chloro-2-fluorophenyl)methylamino]pyrido[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone?
The InChIKey is RPGUGQIXGGFXIR-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H27ClFN7O/c25-17-7-6-16(19(26)14-17)15-29-22-18-4-3-9-28-21(18)30-24(31-22)33-12-10-32(11-13-33)23(34)20-5-1-2-8-27-20/h3-4,6-7,9,14,20,27H,1-2,5,8,10-13,15H2,(H,28,29,30,31)/t20-/m1/s1.
What are the key properties of [4-[4-[(4-chloro-2-fluorophenyl)methylamino]pyrido[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone?
[4-[4-[(4-chloro-2-fluorophenyl)methylamino]pyrido[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone has a molecular weight of 483.98 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(4-chloro-2-fluorophenyl)methylamino]pyrido[2,3-d]pyrimidin-2-yl]piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone is sourced from PubChem (CID 10254731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).