cyclopentanol;ethane;6-methyl-2-[[1-(trifluoromethylsulfanyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one

C21H32F3N5O2S — CID 142289462

IUPACcyclopentanol;ethane;6-methyl-2-[[1-(trifluoromethylsulfanyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCC.Cc1cc2cnc(NC3CCN(SC(F)(F)F)CC3)nc2[nH]c1=O.OC1CCCC1
InChIInChI=1S/C14H16F3N5OS.C5H10O.C2H6/c1-8-6-9-7-18-13(21-11(9)20-12(8)23)19-10-2-4-22(5-3-10)24-14(15,16)17;6-5-3-1-2-4-5;1-2/h6-7,10H,2-5H2,1H3,(H2,18,19,20,21,23);5-6H,1-4H2;1-2H3
InChIKeyMUGBECQANQQSEW-UHFFFAOYSA-N
MW475.58 g/mol
LogP4.62
Rot. Bonds3

About cyclopentanol;ethane;6-methyl-2-[[1-(trifluoromethylsulfanyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one

cyclopentanol;ethane;6-methyl-2-[[1-(trifluoromethylsulfanyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 142289462) has the molecular formula C21H32F3N5O2S and a molecular weight of 475.58 g/mol. Its IUPAC name is cyclopentanol;ethane;6-methyl-2-[[1-(trifluoromethylsulfanyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Namecyclopentanol;ethane;6-methyl-2-[[1-(trifluoromethylsulfanyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID142289462
Molecular FormulaC21H32F3N5O2S
Molecular Weight475.58 g/mol
Exact Mass475.22
IUPAC Namecyclopentanol;ethane;6-methyl-2-[[1-(trifluoromethylsulfanyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESCC.Cc1cc2cnc(NC3CCN(SC(F)(F)F)CC3)nc2[nH]c1=O.OC1CCCC1
InChIInChI=1S/C14H16F3N5OS.C5H10O.C2H6/c1-8-6-9-7-18-13(21-11(9)20-12(8)23)19-10-2-4-22(5-3-10)24-14(15,16)17;6-5-3-1-2-4-5;1-2/h6-7,10H,2-5H2,1H3,(H2,18,19,20,21,23);5-6H,1-4H2;1-2H3
InChIKeyMUGBECQANQQSEW-UHFFFAOYSA-N
XLogP4.62
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.58
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxo-8H-pyrido[2,3-d]pyrimidin-6-yl]acetamide
CID 142289495
4-fluorocyclohexan-1-ol;2-[(1-methylsulfanylpiperidin-4-yl)amino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 142289513
2-[[1-(fluoromethylsulfanyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 142289469
1-[6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[3,4-d]pyrimidin-8-yl]piperidin-4-ol
CID 170740332
8-cyclopentyl-6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 134253054
2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 134257214
3-[4-[4-[1-[2-[4-[[6-(difluoromethyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]piperidin-1-yl]sulfinylethyl]piperidin-4-yl]piperazin-1-yl]phenyl]piperidine-2,6-dione;ethane;methylcyclopentane
CID 170586166
2'-[[1-(2-aminopropan-2-ylsulfanyl)piperidin-4-yl]amino]-7'-cyclopentylspiro[cyclopropane-1,5'-pyrrolo[2,3-d]pyrimidine]-6'-one
CID 170952223
N-aminooxy-4-[[6-(2-chlorophenyl)-7-oxo-8H-pyrido[2,3-d]pyrimidin-2-yl]amino]cyclohexane-1-carboxamide
CID 87987131
8-[(1R,3R)-3-hydroxycyclopentyl]-6-methyl-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 134253129
4-[[6-(2-methylphenyl)quinazolin-2-yl]amino]cyclohexan-1-ol
CID 58829507
2-[8-cyclohexyl-2-[(1-methylsulfanylpiperidin-4-yl)amino]-7-oxopyrido[2,3-d]pyrimidin-6-yl]acetamide
CID 142289485

Frequently Asked Questions

What is the IUPAC name of cyclopentanol;ethane;6-methyl-2-[[1-(trifluoromethylsulfanyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of cyclopentanol;ethane;6-methyl-2-[[1-(trifluoromethylsulfanyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one (CID 142289462) is cyclopentanol;ethane;6-methyl-2-[[1-(trifluoromethylsulfanyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for cyclopentanol;ethane;6-methyl-2-[[1-(trifluoromethylsulfanyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for cyclopentanol;ethane;6-methyl-2-[[1-(trifluoromethylsulfanyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one is CC.Cc1cc2cnc(NC3CCN(SC(F)(F)F)CC3)nc2[nH]c1=O.OC1CCCC1.
What is the InChIKey of cyclopentanol;ethane;6-methyl-2-[[1-(trifluoromethylsulfanyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is MUGBECQANQQSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5OS.C5H10O.C2H6/c1-8-6-9-7-18-13(21-11(9)20-12(8)23)19-10-2-4-22(5-3-10)24-14(15,16)17;6-5-3-1-2-4-5;1-2/h6-7,10H,2-5H2,1H3,(H2,18,19,20,21,23);5-6H,1-4H2;1-2H3.
What are the key properties of cyclopentanol;ethane;6-methyl-2-[[1-(trifluoromethylsulfanyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one?
cyclopentanol;ethane;6-methyl-2-[[1-(trifluoromethylsulfanyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 475.58 g/mol, XLogP of 4.62, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentanol;ethane;6-methyl-2-[[1-(trifluoromethylsulfanyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 142289462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).