8-cyclopentyl-2-[[1-(3-methylbut-2-enylsulfonyl)piperidin-4-yl]amino]-7H-pyrido[2,3-d]pyrimidin-7-ol

C22H33N5O3S — CID 166904541

IUPAC8-cyclopentyl-2-[[1-(3-methylbut-2-enylsulfonyl)piperidin-4-yl]amino]-7H-pyrido[2,3-d]pyrimidin-7-ol
SMILESCC(C)=CCS(=O)(=O)N1CCC(Nc2ncc3c(n2)N(C2CCCC2)C(O)C=C3)CC1
InChIInChI=1S/C22H33N5O3S/c1-16(2)11-14-31(29,30)26-12-9-18(10-13-26)24-22-23-15-17-7-8-20(28)27(21(17)25-22)19-5-3-4-6-19/h7-8,11,15,18-20,28H,3-6,9-10,12-14H2,1-2H3,(H,23,24,25)
InChIKeyVFEUZTVOLXZUFV-UHFFFAOYSA-N
MW447.61 g/mol
LogP2.74
Rot. Bonds6

About 8-cyclopentyl-2-[[1-(3-methylbut-2-enylsulfonyl)piperidin-4-yl]amino]-7H-pyrido[2,3-d]pyrimidin-7-ol

8-cyclopentyl-2-[[1-(3-methylbut-2-enylsulfonyl)piperidin-4-yl]amino]-7H-pyrido[2,3-d]pyrimidin-7-ol (PubChem CID 166904541) has the molecular formula C22H33N5O3S and a molecular weight of 447.61 g/mol. Its IUPAC name is 8-cyclopentyl-2-[[1-(3-methylbut-2-enylsulfonyl)piperidin-4-yl]amino]-7H-pyrido[2,3-d]pyrimidin-7-ol.

Molecular Properties

Compound Name8-cyclopentyl-2-[[1-(3-methylbut-2-enylsulfonyl)piperidin-4-yl]amino]-7H-pyrido[2,3-d]pyrimidin-7-ol
PubChem CID166904541
Molecular FormulaC22H33N5O3S
Molecular Weight447.61 g/mol
Exact Mass447.23
IUPAC Name8-cyclopentyl-2-[[1-(3-methylbut-2-enylsulfonyl)piperidin-4-yl]amino]-7H-pyrido[2,3-d]pyrimidin-7-ol
SMILESCC(C)=CCS(=O)(=O)N1CCC(Nc2ncc3c(n2)N(C2CCCC2)C(O)C=C3)CC1
InChIInChI=1S/C22H33N5O3S/c1-16(2)11-14-31(29,30)26-12-9-18(10-13-26)24-22-23-15-17-7-8-20(28)27(21(17)25-22)19-5-3-4-6-19/h7-8,11,15,18-20,28H,3-6,9-10,12-14H2,1-2H3,(H,23,24,25)
InChIKeyVFEUZTVOLXZUFV-UHFFFAOYSA-N
XLogP2.74
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.61
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[4-[(8-cyclopentyl-7H-pyrido[2,3-d]pyrimidin-2-yl)amino]piperidin-1-yl]sulfonyl-2-methylpropan-2-ol
CID 155399129
8-[[4-[(3-cyclopropyl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methyl]-2-[(1-methylsulfonylpiperidin-4-yl)amino]-7H-pyrido[2,3-d]pyrimidin-7-ol
CID 164925539
6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]-2-[[1-(3-methylbut-2-enylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 166904044
7-methylidene-N-(1-methylsulfonylpiperidin-4-yl)-8-[(7S)-spiro[2.4]heptan-7-yl]pyrido[2,3-d]pyrimidin-2-amine
CID 170267694
8-cyclopentyl-2-[[1-[(2Z)-2-(oxolan-3-ylidene)ethyl]sulfonylpiperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 166904038
7'-cyclopentyl-2'-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]spiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one
CID 154684474
8-cyclopentyl-2-[(1-ethylsulfonylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidine-6-carbonitrile
CID 155458968
8-cyclopentyl-2-[[1-(2-methoxyethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 134253050
1-[6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]piperidin-4-ol
CID 170740332
2-[5-bromo-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]oxycycloheptan-1-ol
CID 167089967
cis-(1S,2R)-2-[5-bromo-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]oxycycloheptan-1-ol
CID 167090086
3-fluoro-5-[5-fluoro-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-4-yl]-1-(3-methylbut-2-enyl)pyridin-2-one
CID 171483362

Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-2-[[1-(3-methylbut-2-enylsulfonyl)piperidin-4-yl]amino]-7H-pyrido[2,3-d]pyrimidin-7-ol?
The IUPAC name of 8-cyclopentyl-2-[[1-(3-methylbut-2-enylsulfonyl)piperidin-4-yl]amino]-7H-pyrido[2,3-d]pyrimidin-7-ol (CID 166904541) is 8-cyclopentyl-2-[[1-(3-methylbut-2-enylsulfonyl)piperidin-4-yl]amino]-7H-pyrido[2,3-d]pyrimidin-7-ol.
What is the SMILES notation for 8-cyclopentyl-2-[[1-(3-methylbut-2-enylsulfonyl)piperidin-4-yl]amino]-7H-pyrido[2,3-d]pyrimidin-7-ol?
The canonical SMILES for 8-cyclopentyl-2-[[1-(3-methylbut-2-enylsulfonyl)piperidin-4-yl]amino]-7H-pyrido[2,3-d]pyrimidin-7-ol is CC(C)=CCS(=O)(=O)N1CCC(Nc2ncc3c(n2)N(C2CCCC2)C(O)C=C3)CC1.
What is the InChIKey of 8-cyclopentyl-2-[[1-(3-methylbut-2-enylsulfonyl)piperidin-4-yl]amino]-7H-pyrido[2,3-d]pyrimidin-7-ol?
The InChIKey is VFEUZTVOLXZUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O3S/c1-16(2)11-14-31(29,30)26-12-9-18(10-13-26)24-22-23-15-17-7-8-20(28)27(21(17)25-22)19-5-3-4-6-19/h7-8,11,15,18-20,28H,3-6,9-10,12-14H2,1-2H3,(H,23,24,25).
What are the key properties of 8-cyclopentyl-2-[[1-(3-methylbut-2-enylsulfonyl)piperidin-4-yl]amino]-7H-pyrido[2,3-d]pyrimidin-7-ol?
8-cyclopentyl-2-[[1-(3-methylbut-2-enylsulfonyl)piperidin-4-yl]amino]-7H-pyrido[2,3-d]pyrimidin-7-ol has a molecular weight of 447.61 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-2-[[1-(3-methylbut-2-enylsulfonyl)piperidin-4-yl]amino]-7H-pyrido[2,3-d]pyrimidin-7-ol is sourced from PubChem (CID 166904541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).