8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-(2H-triazol-4-yl)pyrido[2,3-d]pyrimidin-7-one

C27H32N8O — CID 156767146

IUPAC8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-(2H-triazol-4-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1cc(-c2cn[nH]n2)c2cnc(N3CCC(NCCc4ccccc4)CC3)nc2n1C1CCCC1
InChIInChI=1S/C27H32N8O/c36-25-16-22(24-18-30-33-32-24)23-17-29-27(31-26(23)35(25)21-8-4-5-9-21)34-14-11-20(12-15-34)28-13-10-19-6-2-1-3-7-19/h1-3,6-7,16-18,20-21,28H,4-5,8-15H2,(H,30,32,33)
InChIKeyXNGZVLDIWJZYRN-UHFFFAOYSA-N
MW484.61 g/mol
LogP3.49
Rot. Bonds7

About 8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-(2H-triazol-4-yl)pyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-(2H-triazol-4-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 156767146) has the molecular formula C27H32N8O and a molecular weight of 484.61 g/mol. Its IUPAC name is 8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-(2H-triazol-4-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-(2H-triazol-4-yl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID156767146
Molecular FormulaC27H32N8O
Molecular Weight484.61 g/mol
Exact Mass484.27
IUPAC Name8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-(2H-triazol-4-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1cc(-c2cn[nH]n2)c2cnc(N3CCC(NCCc4ccccc4)CC3)nc2n1C1CCCC1
InChIInChI=1S/C27H32N8O/c36-25-16-22(24-18-30-33-32-24)23-17-29-27(31-26(23)35(25)21-8-4-5-9-21)34-14-11-20(12-15-34)28-13-10-19-6-2-1-3-7-19/h1-3,6-7,16-18,20-21,28H,4-5,8-15H2,(H,30,32,33)
InChIKeyXNGZVLDIWJZYRN-UHFFFAOYSA-N
XLogP3.49
TPSA104.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.61
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-(2H-triazol-4-yl)pyrido[2,3-d]pyrimidin-7-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 8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-(2H-triazol-4-yl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-(2H-triazol-4-yl)pyrido[2,3-d]pyrimidin-7-one (CID 156767146) is 8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-(2H-triazol-4-yl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-(2H-triazol-4-yl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-(2H-triazol-4-yl)pyrido[2,3-d]pyrimidin-7-one is O=c1cc(-c2cn[nH]n2)c2cnc(N3CCC(NCCc4ccccc4)CC3)nc2n1C1CCCC1.
What is the InChIKey of 8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-(2H-triazol-4-yl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is XNGZVLDIWJZYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N8O/c36-25-16-22(24-18-30-33-32-24)23-17-29-27(31-26(23)35(25)21-8-4-5-9-21)34-14-11-20(12-15-34)28-13-10-19-6-2-1-3-7-19/h1-3,6-7,16-18,20-21,28H,4-5,8-15H2,(H,30,32,33).
What are the key properties of 8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-(2H-triazol-4-yl)pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-(2H-triazol-4-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 484.61 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-[4-(2-phenylethylamino)piperidin-1-yl]-5-(2H-triazol-4-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 156767146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).