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

C20H18F6N6O — CID 135240191

IUPAC2-[2-(trifluoromethoxymethyl)pyrrolidin-1-yl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)OCC1CCCN1c1nc(NCc2cccnc2C(F)(F)F)c2cccnc2n1
InChIInChI=1S/C20H18F6N6O/c21-19(22,23)15-12(4-1-7-27-15)10-29-17-14-6-2-8-28-16(14)30-18(31-17)32-9-3-5-13(32)11-33-20(24,25)26/h1-2,4,6-8,13H,3,5,9-11H2,(H,28,29,30,31)
InChIKeyGNXJPURPIHZWQY-UHFFFAOYSA-N
MW472.39 g/mol
LogP4.56
Rot. Bonds6

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

2-[2-(trifluoromethoxymethyl)pyrrolidin-1-yl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 135240191) has the molecular formula C20H18F6N6O and a molecular weight of 472.39 g/mol. Its IUPAC name is 2-[2-(trifluoromethoxymethyl)pyrrolidin-1-yl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-(trifluoromethoxymethyl)pyrrolidin-1-yl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID135240191
Molecular FormulaC20H18F6N6O
Molecular Weight472.39 g/mol
Exact Mass472.14
IUPAC Name2-[2-(trifluoromethoxymethyl)pyrrolidin-1-yl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESFC(F)(F)OCC1CCCN1c1nc(NCc2cccnc2C(F)(F)F)c2cccnc2n1
InChIInChI=1S/C20H18F6N6O/c21-19(22,23)15-12(4-1-7-27-15)10-29-17-14-6-2-8-28-16(14)30-18(31-17)32-9-3-5-13(32)11-33-20(24,25)26/h1-2,4,6-8,13H,3,5,9-11H2,(H,28,29,30,31)
InChIKeyGNXJPURPIHZWQY-UHFFFAOYSA-N
XLogP4.56
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.39
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(4-methylsulfonylpiperidin-1-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 146234482
2-[(3S)-3-methylmorpholin-4-yl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine;hydrochloride
CID 171390138
2-[4-(trifluoromethyl)pyrazol-1-yl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 135240573
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-(trifluoromethoxy)pyrrolidin-1-yl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrimido[4,5-d]pyrimidin-4-amine
CID 146254279
2-N-(oxetan-3-yl)-4-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 146234521
2-(2-oxa-5-azabicyclo[4.1.0]heptan-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 135240524
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
1-(4-fluorophenyl)-3-[4-[[2-(trifluoromethyl)-3-pyridinyl]methylamino]pyrido[2,3-d]pyrimidin-2-yl]urea
CID 135240217
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethoxymethyl)pyrrolidin-1-yl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[2-(trifluoromethoxymethyl)pyrrolidin-1-yl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine (CID 135240191) is 2-[2-(trifluoromethoxymethyl)pyrrolidin-1-yl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[2-(trifluoromethoxymethyl)pyrrolidin-1-yl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[2-(trifluoromethoxymethyl)pyrrolidin-1-yl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine is FC(F)(F)OCC1CCCN1c1nc(NCc2cccnc2C(F)(F)F)c2cccnc2n1.
What is the InChIKey of 2-[2-(trifluoromethoxymethyl)pyrrolidin-1-yl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is GNXJPURPIHZWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F6N6O/c21-19(22,23)15-12(4-1-7-27-15)10-29-17-14-6-2-8-28-16(14)30-18(31-17)32-9-3-5-13(32)11-33-20(24,25)26/h1-2,4,6-8,13H,3,5,9-11H2,(H,28,29,30,31).
What are the key properties of 2-[2-(trifluoromethoxymethyl)pyrrolidin-1-yl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine?
2-[2-(trifluoromethoxymethyl)pyrrolidin-1-yl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 472.39 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethoxymethyl)pyrrolidin-1-yl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 135240191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).