1-[7-(4-chlorophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxamide

C24H27ClN6O2 — CID 25000734

IUPAC1-[7-(4-chlorophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxamide
SMILESC[C@H]1COCCN1c1nc(N2CCC(C(N)=O)CC2)nc2nc(-c3ccc(Cl)cc3)ccc12
InChIInChI=1S/C24H27ClN6O2/c1-15-14-33-13-12-31(15)23-19-6-7-20(16-2-4-18(25)5-3-16)27-22(19)28-24(29-23)30-10-8-17(9-11-30)21(26)32/h2-7,15,17H,8-14H2,1H3,(H2,26,32)/t15-/m0/s1
InChIKeyPVTZDCROWZXBNI-HNNXBMFYSA-N
MW466.97 g/mol
LogP3.27
Rot. Bonds4

About 1-[7-(4-chlorophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxamide

1-[7-(4-chlorophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxamide (PubChem CID 25000734) has the molecular formula C24H27ClN6O2 and a molecular weight of 466.97 g/mol. Its IUPAC name is 1-[7-(4-chlorophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[7-(4-chlorophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxamide
PubChem CID25000734
Molecular FormulaC24H27ClN6O2
Molecular Weight466.97 g/mol
Exact Mass466.19
IUPAC Name1-[7-(4-chlorophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxamide
SMILESC[C@H]1COCCN1c1nc(N2CCC(C(N)=O)CC2)nc2nc(-c3ccc(Cl)cc3)ccc12
InChIInChI=1S/C24H27ClN6O2/c1-15-14-33-13-12-31(15)23-19-6-7-20(16-2-4-18(25)5-3-16)27-22(19)28-24(29-23)30-10-8-17(9-11-30)21(26)32/h2-7,15,17H,8-14H2,1H3,(H2,26,32)/t15-/m0/s1
InChIKeyPVTZDCROWZXBNI-HNNXBMFYSA-N
XLogP3.27
TPSA97.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.97
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[7-(4-chlorophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxamide 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 1-[7-(4-chlorophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[7-(4-chlorophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxamide (CID 25000734) is 1-[7-(4-chlorophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[7-(4-chlorophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[7-(4-chlorophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxamide is C[C@H]1COCCN1c1nc(N2CCC(C(N)=O)CC2)nc2nc(-c3ccc(Cl)cc3)ccc12.
What is the InChIKey of 1-[7-(4-chlorophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxamide?
The InChIKey is PVTZDCROWZXBNI-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H27ClN6O2/c1-15-14-33-13-12-31(15)23-19-6-7-20(16-2-4-18(25)5-3-16)27-22(19)28-24(29-23)30-10-8-17(9-11-30)21(26)32/h2-7,15,17H,8-14H2,1H3,(H2,26,32)/t15-/m0/s1.
What are the key properties of 1-[7-(4-chlorophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxamide?
1-[7-(4-chlorophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxamide has a molecular weight of 466.97 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(4-chlorophenyl)-4-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 25000734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).