2-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine

C23H22F5N5 — CID 135240139

IUPAC2-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESFC1(F)CC2(CCN(c3nc(NCc4ccccc4C(F)(F)F)c4cccnc4n3)CC2)C1
InChIInChI=1S/C23H22F5N5/c24-22(25)13-21(14-22)7-10-33(11-8-21)20-31-18-16(5-3-9-29-18)19(32-20)30-12-15-4-1-2-6-17(15)23(26,27)28/h1-6,9H,7-8,10-14H2,(H,29,30,31,32)
InChIKeyDGIGXQPVYLINMR-UHFFFAOYSA-N
MW463.45 g/mol
LogP5.67
Rot. Bonds4

About 2-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine

2-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 135240139) has the molecular formula C23H22F5N5 and a molecular weight of 463.45 g/mol. Its IUPAC name is 2-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID135240139
Molecular FormulaC23H22F5N5
Molecular Weight463.45 g/mol
Exact Mass463.18
IUPAC Name2-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESFC1(F)CC2(CCN(c3nc(NCc4ccccc4C(F)(F)F)c4cccnc4n3)CC2)C1
InChIInChI=1S/C23H22F5N5/c24-22(25)13-21(14-22)7-10-33(11-8-21)20-31-18-16(5-3-9-29-18)19(32-20)30-12-15-4-1-2-6-17(15)23(26,27)28/h1-6,9H,7-8,10-14H2,(H,29,30,31,32)
InChIKeyDGIGXQPVYLINMR-UHFFFAOYSA-N
XLogP5.67
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.45
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-N-[[2-(trifluoromethyl)phenyl]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-(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-(3-methylpiperidin-1-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 146234498
2-[(3-ethylazetidin-1-yl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 170371700
2-(4-methylsulfonylpiperidin-1-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 146234482
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-[4-(trifluoromethyl)pyrazol-1-yl]-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 135240573
2-(3-methylmorpholin-4-yl)-N-[[2-(trifluoromethyl)-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-4-amine
CID 135240090
2-pyrrolidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine
CID 135240154
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
1-[4-[(2-ethylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-yl]azetidine-3-carbonitrile
CID 170371839
N-[(2-ethyl-3-pyridinyl)methyl]-2-(2-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-4-amine
CID 170371810

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 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) is 2-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine is FC1(F)CC2(CCN(c3nc(NCc4ccccc4C(F)(F)F)c4cccnc4n3)CC2)C1.
What is the InChIKey of 2-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is DGIGXQPVYLINMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F5N5/c24-22(25)13-21(14-22)7-10-33(11-8-21)20-31-18-16(5-3-9-29-18)19(32-20)30-12-15-4-1-2-6-17(15)23(26,27)28/h1-6,9H,7-8,10-14H2,(H,29,30,31,32).
What are the key properties of 2-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine?
2-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 463.45 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 135240139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).