2-(4-methylsulfonylpiperidin-1-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine

C20H21F3N6O2S — CID 146234482

IUPAC2-(4-methylsulfonylpiperidin-1-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCS(=O)(=O)C1CCN(c2nc(NCc3cccnc3C(F)(F)F)c3cccnc3n2)CC1
InChIInChI=1S/C20H21F3N6O2S/c1-32(30,31)14-6-10-29(11-7-14)19-27-17-15(5-3-9-25-17)18(28-19)26-12-13-4-2-8-24-16(13)20(21,22)23/h2-5,8-9,14H,6-7,10-12H2,1H3,(H,25,26,27,28)
InChIKeyHRXAXJUXZXTTTO-UHFFFAOYSA-N
MW466.49 g/mol
LogP3.06
Rot. Bonds5

About 2-(4-methylsulfonylpiperidin-1-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine

2-(4-methylsulfonylpiperidin-1-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 146234482) has the molecular formula C20H21F3N6O2S and a molecular weight of 466.49 g/mol. Its IUPAC name is 2-(4-methylsulfonylpiperidin-1-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-methylsulfonylpiperidin-1-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID146234482
Molecular FormulaC20H21F3N6O2S
Molecular Weight466.49 g/mol
Exact Mass466.14
IUPAC Name2-(4-methylsulfonylpiperidin-1-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCS(=O)(=O)C1CCN(c2nc(NCc3cccnc3C(F)(F)F)c3cccnc3n2)CC1
InChIInChI=1S/C20H21F3N6O2S/c1-32(30,31)14-6-10-29(11-7-14)19-27-17-15(5-3-9-25-17)18(28-19)26-12-13-4-2-8-24-16(13)20(21,22)23/h2-5,8-9,14H,6-7,10-12H2,1H3,(H,25,26,27,28)
InChIKeyHRXAXJUXZXTTTO-UHFFFAOYSA-N
XLogP3.06
TPSA100.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(4-methylsulfonylpiperidin-1-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-[3-(methyl-methylidene-oxo-λ6-sulfanyl)pyrrolidin-1-yl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 162608585
2-(3-methylpiperidin-1-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 146234498
2-(3-methylmorpholin-4-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 135240090
2-[(3S)-3-methylmorpholin-4-yl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine;hydrochloride
CID 171390138
2-[2-(trifluoromethoxymethyl)pyrrolidin-1-yl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 135240191
2-[3-(trifluoromethoxy)pyrrolidin-1-yl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrimido[4,5-d]pyrimidin-4-amine
CID 146254279
2-[4-(trifluoromethyl)pyrazol-1-yl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 135240573
2-N-(oxetan-3-yl)-4-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 146234521
2-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 135240139
2-[1-[4-[[2-(trifluoromethyl)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-2-yl]piperidin-4-yl]ethyl N-[1-oxo-1-[[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methylamino]pent-4-yn-2-yl]carbamate
CID 138963605
N-[(2-ethyl-3-pyridinyl)methyl]-2-(2-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-4-amine
CID 170371810
1-[4-[(2-ethylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-yl]azetidine-3-carbonitrile
CID 170371839

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylsulfonylpiperidin-1-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(4-methylsulfonylpiperidin-1-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine (CID 146234482) is 2-(4-methylsulfonylpiperidin-1-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-methylsulfonylpiperidin-1-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-methylsulfonylpiperidin-1-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine is CS(=O)(=O)C1CCN(c2nc(NCc3cccnc3C(F)(F)F)c3cccnc3n2)CC1.
What is the InChIKey of 2-(4-methylsulfonylpiperidin-1-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is HRXAXJUXZXTTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N6O2S/c1-32(30,31)14-6-10-29(11-7-14)19-27-17-15(5-3-9-25-17)18(28-19)26-12-13-4-2-8-24-16(13)20(21,22)23/h2-5,8-9,14H,6-7,10-12H2,1H3,(H,25,26,27,28).
What are the key properties of 2-(4-methylsulfonylpiperidin-1-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine?
2-(4-methylsulfonylpiperidin-1-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 466.49 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylsulfonylpiperidin-1-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 146234482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).