6-cyclopropyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one

C20H22N6O — CID 126941964

IUPAC6-cyclopropyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one
SMILESO=c1cc(C2CC2)ncn1CC1CCN(c2ncnc3ncccc23)CC1
InChIInChI=1S/C20H22N6O/c27-18-10-17(15-3-4-15)24-13-26(18)11-14-5-8-25(9-6-14)20-16-2-1-7-21-19(16)22-12-23-20/h1-2,7,10,12-15H,3-6,8-9,11H2
InChIKeyFZVGPXWBLASRJR-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.38
Rot. Bonds4

About 6-cyclopropyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one

6-cyclopropyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one (PubChem CID 126941964) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 6-cyclopropyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-cyclopropyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one
PubChem CID126941964
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name6-cyclopropyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one
SMILESO=c1cc(C2CC2)ncn1CC1CCN(c2ncnc3ncccc23)CC1
InChIInChI=1S/C20H22N6O/c27-18-10-17(15-3-4-15)24-13-26(18)11-14-5-8-25(9-6-14)20-16-2-1-7-21-19(16)22-12-23-20/h1-2,7,10,12-15H,3-6,8-9,11H2
InChIKeyFZVGPXWBLASRJR-UHFFFAOYSA-N
XLogP2.38
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-cyclopropyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one 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 6-cyclopropyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one?
The IUPAC name of 6-cyclopropyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one (CID 126941964) is 6-cyclopropyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one.
What is the SMILES notation for 6-cyclopropyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one?
The canonical SMILES for 6-cyclopropyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one is O=c1cc(C2CC2)ncn1CC1CCN(c2ncnc3ncccc23)CC1.
What is the InChIKey of 6-cyclopropyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one?
The InChIKey is FZVGPXWBLASRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c27-18-10-17(15-3-4-15)24-13-26(18)11-14-5-8-25(9-6-14)20-16-2-1-7-21-19(16)22-12-23-20/h1-2,7,10,12-15H,3-6,8-9,11H2.
What are the key properties of 6-cyclopropyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one?
6-cyclopropyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one has a molecular weight of 362.44 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[(1-pyrido[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methyl]pyrimidin-4-one is sourced from PubChem (CID 126941964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).