2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one

C14H16F3N5O3S — CID 134257214

IUPAC2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(NC3CCN(S(=O)(=O)CC(F)(F)F)CC3)nc2[nH]1
InChIInChI=1S/C14H16F3N5O3S/c15-14(16,17)8-26(24,25)22-5-3-10(4-6-22)19-13-18-7-9-1-2-11(23)20-12(9)21-13/h1-2,7,10H,3-6,8H2,(H2,18,19,20,21,23)
InChIKeyCKMUGXLDSYGYNC-UHFFFAOYSA-N
MW391.38 g/mol
LogP1.09
Rot. Bonds4

About 2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one

2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 134257214) has the molecular formula C14H16F3N5O3S and a molecular weight of 391.38 g/mol. Its IUPAC name is 2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID134257214
Molecular FormulaC14H16F3N5O3S
Molecular Weight391.38 g/mol
Exact Mass391.09
IUPAC Name2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
SMILESO=c1ccc2cnc(NC3CCN(S(=O)(=O)CC(F)(F)F)CC3)nc2[nH]1
InChIInChI=1S/C14H16F3N5O3S/c15-14(16,17)8-26(24,25)22-5-3-10(4-6-22)19-13-18-7-9-1-2-11(23)20-12(9)21-13/h1-2,7,10H,3-6,8H2,(H2,18,19,20,21,23)
InChIKeyCKMUGXLDSYGYNC-UHFFFAOYSA-N
XLogP1.09
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

2-[(1-cyclopropylsulfonylpiperidin-4-yl)amino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 134257312
2-[[1-(fluoromethylsulfanyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 142289469
8-methyl-6-(2-methylphenyl)-2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one;hydrochloride
CID 162326219
4-fluorocyclohexan-1-ol;2-[(1-methylsulfanylpiperidin-4-yl)amino]-8H-pyrido[2,3-d]pyrimidin-7-one
CID 142289513
8-cyclopentyl-7-oxo-2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidine-6-carbonitrile;molecular hydrogen
CID 155572173
N-(1-benzylsulfonylpiperidin-4-yl)-5-bromopyrimidin-2-amine
CID 133306530
N-(1-benzylsulfonylpiperidin-4-yl)-5-methylpyrimidin-2-amine
CID 75433513
8-cyclopentyl-2-[[1-(2-methoxyethylsulfonyl)piperidin-4-yl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 134253050
2-[(1-ethylsulfonylpiperidin-4-yl)amino]-8-[(1S,2S)-2-hydroxy-2-methylcyclopentyl]pyrido[2,3-d]pyrimidin-7-one
CID 134253078
4-[(8-cyclopentyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]piperidine-1-sulfonyl chloride
CID 164557559
N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)-4-trimethylstannylpyrimidin-2-amine
CID 171468969
N-(1-methylsulfonylpiperidin-4-yl)pyrido[2,3-d]pyrimidin-2-amine
CID 175728686

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one (CID 134257214) is 2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one is O=c1ccc2cnc(NC3CCN(S(=O)(=O)CC(F)(F)F)CC3)nc2[nH]1.
What is the InChIKey of 2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is CKMUGXLDSYGYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O3S/c15-14(16,17)8-26(24,25)22-5-3-10(4-6-22)19-13-18-7-9-1-2-11(23)20-12(9)21-13/h1-2,7,10H,3-6,8H2,(H2,18,19,20,21,23).
What are the key properties of 2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one?
2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 391.38 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]amino]-8H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 134257214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).