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

C32H36FN5O — CID 156767131

IUPAC8-cyclopentyl-5-(3-fluoro-4-methylphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1ccc(-c2cc(=O)n(C3CCCC3)c3nc(N4CCC(NCCc5ccccc5)CC4)ncc23)cc1F
InChIInChI=1S/C32H36FN5O/c1-22-11-12-24(19-29(22)33)27-20-30(39)38(26-9-5-6-10-26)31-28(27)21-35-32(36-31)37-17-14-25(15-18-37)34-16-13-23-7-3-2-4-8-23/h2-4,7-8,11-12,19-21,25-26,34H,5-6,9-10,13-18H2,1H3
InChIKeySDMUIKQDGHORAT-UHFFFAOYSA-N
MW525.67 g/mol
LogP5.82
Rot. Bonds7

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

8-cyclopentyl-5-(3-fluoro-4-methylphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 156767131) has the molecular formula C32H36FN5O and a molecular weight of 525.67 g/mol. Its IUPAC name is 8-cyclopentyl-5-(3-fluoro-4-methylphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-5-(3-fluoro-4-methylphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID156767131
Molecular FormulaC32H36FN5O
Molecular Weight525.67 g/mol
Exact Mass525.29
IUPAC Name8-cyclopentyl-5-(3-fluoro-4-methylphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1ccc(-c2cc(=O)n(C3CCCC3)c3nc(N4CCC(NCCc5ccccc5)CC4)ncc23)cc1F
InChIInChI=1S/C32H36FN5O/c1-22-11-12-24(19-29(22)33)27-20-30(39)38(26-9-5-6-10-26)31-28(27)21-35-32(36-31)37-17-14-25(15-18-37)34-16-13-23-7-3-2-4-8-23/h2-4,7-8,11-12,19-21,25-26,34H,5-6,9-10,13-18H2,1H3
InChIKeySDMUIKQDGHORAT-UHFFFAOYSA-N
XLogP5.82
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.67
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-5-(3-fluoro-4-methylphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-5-(3-fluoro-4-methylphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one (CID 156767131) is 8-cyclopentyl-5-(3-fluoro-4-methylphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-5-(3-fluoro-4-methylphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-5-(3-fluoro-4-methylphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one is Cc1ccc(-c2cc(=O)n(C3CCCC3)c3nc(N4CCC(NCCc5ccccc5)CC4)ncc23)cc1F.
What is the InChIKey of 8-cyclopentyl-5-(3-fluoro-4-methylphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is SDMUIKQDGHORAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36FN5O/c1-22-11-12-24(19-29(22)33)27-20-30(39)38(26-9-5-6-10-26)31-28(27)21-35-32(36-31)37-17-14-25(15-18-37)34-16-13-23-7-3-2-4-8-23/h2-4,7-8,11-12,19-21,25-26,34H,5-6,9-10,13-18H2,1H3.
What are the key properties of 8-cyclopentyl-5-(3-fluoro-4-methylphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-5-(3-fluoro-4-methylphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 525.67 g/mol, XLogP of 5.82, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-5-(3-fluoro-4-methylphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 156767131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).