8-cyclopentyl-6-(4-methyl-6-pyridin-3-yl-3-pyridinyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one

C33H33N7OS — CID 71249814

IUPAC8-cyclopentyl-6-(4-methyl-6-pyridin-3-yl-3-pyridinyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(-c2cccnc2)ncc1-c1cc2cnc(Nc3ccc(C4CNCCS4)cc3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C33H33N7OS/c1-21-15-29(23-5-4-12-34-17-23)36-19-28(21)27-16-24-18-37-33(39-31(24)40(32(27)41)26-6-2-3-7-26)38-25-10-8-22(9-11-25)30-20-35-13-14-42-30/h4-5,8-12,15-19,26,30,35H,2-3,6-7,13-14,20H2,1H3,(H,37,38,39)
InChIKeySRVRANACGGJNKK-UHFFFAOYSA-N
MW575.74 g/mol
LogP6.46
Rot. Bonds6

About 8-cyclopentyl-6-(4-methyl-6-pyridin-3-yl-3-pyridinyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one

8-cyclopentyl-6-(4-methyl-6-pyridin-3-yl-3-pyridinyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 71249814) has the molecular formula C33H33N7OS and a molecular weight of 575.74 g/mol. Its IUPAC name is 8-cyclopentyl-6-(4-methyl-6-pyridin-3-yl-3-pyridinyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-cyclopentyl-6-(4-methyl-6-pyridin-3-yl-3-pyridinyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID71249814
Molecular FormulaC33H33N7OS
Molecular Weight575.74 g/mol
Exact Mass575.25
IUPAC Name8-cyclopentyl-6-(4-methyl-6-pyridin-3-yl-3-pyridinyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(-c2cccnc2)ncc1-c1cc2cnc(Nc3ccc(C4CNCCS4)cc3)nc2n(C2CCCC2)c1=O
InChIInChI=1S/C33H33N7OS/c1-21-15-29(23-5-4-12-34-17-23)36-19-28(21)27-16-24-18-37-33(39-31(24)40(32(27)41)26-6-2-3-7-26)38-25-10-8-22(9-11-25)30-20-35-13-14-42-30/h4-5,8-12,15-19,26,30,35H,2-3,6-7,13-14,20H2,1H3,(H,37,38,39)
InChIKeySRVRANACGGJNKK-UHFFFAOYSA-N
XLogP6.46
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.74
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Launch Full Analysis

Related Compounds

6-[4-methyl-6-(1,3-thiazol-4-yl)-3-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 90210775
8-cyclopentyl-2-[4-(1-methylpiperidin-3-yl)anilino]-6-(4-methyl-2-thiophen-3-ylpyrimidin-5-yl)pyrido[2,3-d]pyrimidin-7-one
CID 90210759
8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]-6-(2-methyl-5-pyridin-3-ylphenyl)pyrido[2,3-d]pyrimidin-7-one
CID 90210853
8-cyclopentyl-6-fluoro-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 134135542
8-cyclopentyl-4-methyl-2-(4-piperidin-4-ylanilino)-6-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
CID 25096434
2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylamino)-8-cyclopropyl-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-one
CID 11495352
2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-[5-(1-methylpiperidin-2-yl)-2-pyridinyl]-8-(1-methylsulfinylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-7-one
CID 90213071
8-cyclopentyl-2-[3-fluoro-4-(2-methylpiperazin-1-yl)anilino]-6-[1-(furan-2-yl)-5-methylimidazol-4-yl]pyrido[2,3-d]pyrimidin-7-one
CID 70934186
6-(2-chloro-4-pyridin-2-ylphenyl)-8-ethyl-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one
CID 70934563
6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
CID 70934557
1-(3-tert-butyl-1-pyridin-3-ylpyrazol-5-yl)-3-[3-[8-cyclopentyl-2-(methylamino)-7-oxopyrido[2,3-d]pyrimidin-6-yl]phenyl]urea
CID 69295124
8-cyclopentyl-7-oxo-2-[(1-oxo-2,3,4,5-tetrahydro-2-benzazepin-8-yl)amino]pyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458658

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-6-(4-methyl-6-pyridin-3-yl-3-pyridinyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-6-(4-methyl-6-pyridin-3-yl-3-pyridinyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 71249814) is 8-cyclopentyl-6-(4-methyl-6-pyridin-3-yl-3-pyridinyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-6-(4-methyl-6-pyridin-3-yl-3-pyridinyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-6-(4-methyl-6-pyridin-3-yl-3-pyridinyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one is Cc1cc(-c2cccnc2)ncc1-c1cc2cnc(Nc3ccc(C4CNCCS4)cc3)nc2n(C2CCCC2)c1=O.
What is the InChIKey of 8-cyclopentyl-6-(4-methyl-6-pyridin-3-yl-3-pyridinyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is SRVRANACGGJNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33N7OS/c1-21-15-29(23-5-4-12-34-17-23)36-19-28(21)27-16-24-18-37-33(39-31(24)40(32(27)41)26-6-2-3-7-26)38-25-10-8-22(9-11-25)30-20-35-13-14-42-30/h4-5,8-12,15-19,26,30,35H,2-3,6-7,13-14,20H2,1H3,(H,37,38,39).
What are the key properties of 8-cyclopentyl-6-(4-methyl-6-pyridin-3-yl-3-pyridinyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-6-(4-methyl-6-pyridin-3-yl-3-pyridinyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 575.74 g/mol, XLogP of 6.46, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-6-(4-methyl-6-pyridin-3-yl-3-pyridinyl)-2-(4-thiomorpholin-2-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 71249814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).