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

C32H37N5O2 — CID 156767151

IUPAC8-cyclopentyl-5-(3-methoxyphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1cccc(-c2cc(=O)n(C3CCCC3)c3nc(N4CCC(NCCc5ccccc5)CC4)ncc23)c1
InChIInChI=1S/C32H37N5O2/c1-39-27-13-7-10-24(20-27)28-21-30(38)37(26-11-5-6-12-26)31-29(28)22-34-32(35-31)36-18-15-25(16-19-36)33-17-14-23-8-3-2-4-9-23/h2-4,7-10,13,20-22,25-26,33H,5-6,11-12,14-19H2,1H3
InChIKeyRZKZEIVGAJBCQW-UHFFFAOYSA-N
MW523.68 g/mol
LogP5.38
Rot. Bonds8

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

8-cyclopentyl-5-(3-methoxyphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 156767151) has the molecular formula C32H37N5O2 and a molecular weight of 523.68 g/mol. Its IUPAC name is 8-cyclopentyl-5-(3-methoxyphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-5-(3-methoxyphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID156767151
Molecular FormulaC32H37N5O2
Molecular Weight523.68 g/mol
Exact Mass523.29
IUPAC Name8-cyclopentyl-5-(3-methoxyphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one
SMILESCOc1cccc(-c2cc(=O)n(C3CCCC3)c3nc(N4CCC(NCCc5ccccc5)CC4)ncc23)c1
InChIInChI=1S/C32H37N5O2/c1-39-27-13-7-10-24(20-27)28-21-30(38)37(26-11-5-6-12-26)31-29(28)22-34-32(35-31)36-18-15-25(16-19-36)33-17-14-23-8-3-2-4-9-23/h2-4,7-10,13,20-22,25-26,33H,5-6,11-12,14-19H2,1H3
InChIKeyRZKZEIVGAJBCQW-UHFFFAOYSA-N
XLogP5.38
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.68
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-5-(3-methoxyphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-5-(3-methoxyphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one (CID 156767151) is 8-cyclopentyl-5-(3-methoxyphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-5-(3-methoxyphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-5-(3-methoxyphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one is COc1cccc(-c2cc(=O)n(C3CCCC3)c3nc(N4CCC(NCCc5ccccc5)CC4)ncc23)c1.
What is the InChIKey of 8-cyclopentyl-5-(3-methoxyphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is RZKZEIVGAJBCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O2/c1-39-27-13-7-10-24(20-27)28-21-30(38)37(26-11-5-6-12-26)31-29(28)22-34-32(35-31)36-18-15-25(16-19-36)33-17-14-23-8-3-2-4-9-23/h2-4,7-10,13,20-22,25-26,33H,5-6,11-12,14-19H2,1H3.
What are the key properties of 8-cyclopentyl-5-(3-methoxyphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-5-(3-methoxyphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 523.68 g/mol, XLogP of 5.38, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-5-(3-methoxyphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 156767151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).