N-(2'-amino-1'-methyl-6'-oxospiro[1,2-dihydroindene-3,4'-5H-pyrimidine]-5-yl)-3-(trifluoromethyl)pyridine-2-carboxamide

C20H18F3N5O2 — CID 75288111

IUPACN-(2'-amino-1'-methyl-6'-oxospiro[1,2-dihydroindene-3,4'-5H-pyrimidine]-5-yl)-3-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN1C(=O)CC2(CCc3ccc(NC(=O)c4ncccc4C(F)(F)F)cc32)N=C1N
InChIInChI=1S/C20H18F3N5O2/c1-28-15(29)10-19(27-18(28)24)7-6-11-4-5-12(9-14(11)19)26-17(30)16-13(20(21,22)23)3-2-8-25-16/h2-5,8-9H,6-7,10H2,1H3,(H2,24,27)(H,26,30)
InChIKeyYJHHRPRQRVXXQX-UHFFFAOYSA-N
MW417.39 g/mol
LogP2.67
Rot. Bonds2

About N-(2'-amino-1'-methyl-6'-oxospiro[1,2-dihydroindene-3,4'-5H-pyrimidine]-5-yl)-3-(trifluoromethyl)pyridine-2-carboxamide

N-(2'-amino-1'-methyl-6'-oxospiro[1,2-dihydroindene-3,4'-5H-pyrimidine]-5-yl)-3-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 75288111) has the molecular formula C20H18F3N5O2 and a molecular weight of 417.39 g/mol. Its IUPAC name is N-(2'-amino-1'-methyl-6'-oxospiro[1,2-dihydroindene-3,4'-5H-pyrimidine]-5-yl)-3-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2'-amino-1'-methyl-6'-oxospiro[1,2-dihydroindene-3,4'-5H-pyrimidine]-5-yl)-3-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID75288111
Molecular FormulaC20H18F3N5O2
Molecular Weight417.39 g/mol
Exact Mass417.14
IUPAC NameN-(2'-amino-1'-methyl-6'-oxospiro[1,2-dihydroindene-3,4'-5H-pyrimidine]-5-yl)-3-(trifluoromethyl)pyridine-2-carboxamide
SMILESCN1C(=O)CC2(CCc3ccc(NC(=O)c4ncccc4C(F)(F)F)cc32)N=C1N
InChIInChI=1S/C20H18F3N5O2/c1-28-15(29)10-19(27-18(28)24)7-6-11-4-5-12(9-14(11)19)26-17(30)16-13(20(21,22)23)3-2-8-25-16/h2-5,8-9H,6-7,10H2,1H3,(H2,24,27)(H,26,30)
InChIKeyYJHHRPRQRVXXQX-UHFFFAOYSA-N
XLogP2.67
TPSA100.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2'-amino-1'-methyl-6'-oxospiro[1,2-dihydroindene-3,4'-5H-pyrimidine]-5-yl)-3-(trifluoromethyl)pyridine-2-carboxamide 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

N-[3-[(4S)-2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl]phenyl]-5-chloropyridine-2-carboxamide
CID 49819085
N-[3-[(6R)-8-amino-2,6-dimethyl-3-oxo-5H-imidazo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
CID 86291837
N-[3-(3-amino-1,5-dimethyl-6-oxo-2H-pyrazin-5-yl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 54760133
CID 57385627
CID 57385627
N-(4''-Amino-4,4-difluoro-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-6'-yl)-5-chloropyridine-2-carboxamide
CID 67979524
CID 68391913
CID 68391913
N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 118307923
N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-5-fluoro-3-methylpyridine-2-carboxamide
CID 118307926
N-[3-[(2R,5R)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 118307938
N-(3-((2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-2,3,4,5-tetrahydropyridin-2-yl)-4-fluorophenyl)-5-fluoropico linamide
CID 118307940
N-[3-[(2R,5S)-6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 118307988
N-[3-[(6R)-2-amino-3,6-dimethyl-4,5-dihydropyrimidin-6-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 145976227

Frequently Asked Questions

What is the IUPAC name of N-(2'-amino-1'-methyl-6'-oxospiro[1,2-dihydroindene-3,4'-5H-pyrimidine]-5-yl)-3-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(2'-amino-1'-methyl-6'-oxospiro[1,2-dihydroindene-3,4'-5H-pyrimidine]-5-yl)-3-(trifluoromethyl)pyridine-2-carboxamide (CID 75288111) is N-(2'-amino-1'-methyl-6'-oxospiro[1,2-dihydroindene-3,4'-5H-pyrimidine]-5-yl)-3-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2'-amino-1'-methyl-6'-oxospiro[1,2-dihydroindene-3,4'-5H-pyrimidine]-5-yl)-3-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2'-amino-1'-methyl-6'-oxospiro[1,2-dihydroindene-3,4'-5H-pyrimidine]-5-yl)-3-(trifluoromethyl)pyridine-2-carboxamide is CN1C(=O)CC2(CCc3ccc(NC(=O)c4ncccc4C(F)(F)F)cc32)N=C1N.
What is the InChIKey of N-(2'-amino-1'-methyl-6'-oxospiro[1,2-dihydroindene-3,4'-5H-pyrimidine]-5-yl)-3-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is YJHHRPRQRVXXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O2/c1-28-15(29)10-19(27-18(28)24)7-6-11-4-5-12(9-14(11)19)26-17(30)16-13(20(21,22)23)3-2-8-25-16/h2-5,8-9H,6-7,10H2,1H3,(H2,24,27)(H,26,30).
What are the key properties of N-(2'-amino-1'-methyl-6'-oxospiro[1,2-dihydroindene-3,4'-5H-pyrimidine]-5-yl)-3-(trifluoromethyl)pyridine-2-carboxamide?
N-(2'-amino-1'-methyl-6'-oxospiro[1,2-dihydroindene-3,4'-5H-pyrimidine]-5-yl)-3-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 417.39 g/mol, XLogP of 2.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2'-amino-1'-methyl-6'-oxospiro[1,2-dihydroindene-3,4'-5H-pyrimidine]-5-yl)-3-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 75288111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).