8-cyclopentyl-4-methyl-2-(4-piperidin-4-ylanilino)-6-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one

C27H30N6OS — CID 25096434

IUPAC8-cyclopentyl-4-methyl-2-(4-piperidin-4-ylanilino)-6-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(Nc2ccc(C3CCNCC3)cc2)nc2c1cc(-c1nccs1)c(=O)n2C1CCCC1
InChIInChI=1S/C27H30N6OS/c1-17-22-16-23(25-29-14-15-35-25)26(34)33(21-4-2-3-5-21)24(22)32-27(30-17)31-20-8-6-18(7-9-20)19-10-12-28-13-11-19/h6-9,14-16,19,21,28H,2-5,10-13H2,1H3,(H,30,31,32)
InChIKeyWGXJHPSUZHFMRX-UHFFFAOYSA-N
MW486.65 g/mol
LogP5.55
Rot. Bonds5

About 8-cyclopentyl-4-methyl-2-(4-piperidin-4-ylanilino)-6-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-4-methyl-2-(4-piperidin-4-ylanilino)-6-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 25096434) has the molecular formula C27H30N6OS and a molecular weight of 486.65 g/mol. Its IUPAC name is 8-cyclopentyl-4-methyl-2-(4-piperidin-4-ylanilino)-6-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-4-methyl-2-(4-piperidin-4-ylanilino)-6-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID25096434
Molecular FormulaC27H30N6OS
Molecular Weight486.65 g/mol
Exact Mass486.22
IUPAC Name8-cyclopentyl-4-methyl-2-(4-piperidin-4-ylanilino)-6-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(Nc2ccc(C3CCNCC3)cc2)nc2c1cc(-c1nccs1)c(=O)n2C1CCCC1
InChIInChI=1S/C27H30N6OS/c1-17-22-16-23(25-29-14-15-35-25)26(34)33(21-4-2-3-5-21)24(22)32-27(30-17)31-20-8-6-18(7-9-20)19-10-12-28-13-11-19/h6-9,14-16,19,21,28H,2-5,10-13H2,1H3,(H,30,31,32)
InChIKeyWGXJHPSUZHFMRX-UHFFFAOYSA-N
XLogP5.55
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.65
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-4-methyl-2-(4-piperidin-4-ylanilino)-6-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-4-methyl-2-(4-piperidin-4-ylanilino)-6-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one (CID 25096434) is 8-cyclopentyl-4-methyl-2-(4-piperidin-4-ylanilino)-6-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-4-methyl-2-(4-piperidin-4-ylanilino)-6-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-4-methyl-2-(4-piperidin-4-ylanilino)-6-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one is Cc1nc(Nc2ccc(C3CCNCC3)cc2)nc2c1cc(-c1nccs1)c(=O)n2C1CCCC1.
What is the InChIKey of 8-cyclopentyl-4-methyl-2-(4-piperidin-4-ylanilino)-6-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is WGXJHPSUZHFMRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6OS/c1-17-22-16-23(25-29-14-15-35-25)26(34)33(21-4-2-3-5-21)24(22)32-27(30-17)31-20-8-6-18(7-9-20)19-10-12-28-13-11-19/h6-9,14-16,19,21,28H,2-5,10-13H2,1H3,(H,30,31,32).
What are the key properties of 8-cyclopentyl-4-methyl-2-(4-piperidin-4-ylanilino)-6-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-4-methyl-2-(4-piperidin-4-ylanilino)-6-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 486.65 g/mol, XLogP of 5.55, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-4-methyl-2-(4-piperidin-4-ylanilino)-6-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 25096434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).