2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one

C26H24F3N7O — CID 170095638

IUPAC2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cnn(C(C)C)c1-c1ncc2ccc(=O)n(Cc3ccc(-c4nc(C(F)(F)F)cn4C)cc3)c2n1
InChIInChI=1S/C26H24F3N7O/c1-15(2)36-22(16(3)11-31-36)23-30-12-19-9-10-21(37)35(25(19)33-23)13-17-5-7-18(8-6-17)24-32-20(14-34(24)4)26(27,28)29/h5-12,14-15H,13H2,1-4H3
InChIKeyIFPPAGKHJINAJG-UHFFFAOYSA-N
MW507.52 g/mol
LogP5.01
Rot. Bonds5

About 2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one

2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 170095638) has the molecular formula C26H24F3N7O and a molecular weight of 507.52 g/mol. Its IUPAC name is 2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID170095638
Molecular FormulaC26H24F3N7O
Molecular Weight507.52 g/mol
Exact Mass507.20
IUPAC Name2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cnn(C(C)C)c1-c1ncc2ccc(=O)n(Cc3ccc(-c4nc(C(F)(F)F)cn4C)cc3)c2n1
InChIInChI=1S/C26H24F3N7O/c1-15(2)36-22(16(3)11-31-36)23-30-12-19-9-10-21(37)35(25(19)33-23)13-17-5-7-18(8-6-17)24-32-20(14-34(24)4)26(27,28)29/h5-12,14-15H,13H2,1-4H3
InChIKeyIFPPAGKHJINAJG-UHFFFAOYSA-N
XLogP5.01
TPSA83.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.52
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one 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-(4-chloro-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 170707229
2-(2-methoxyphenyl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 177377969
2-(2-fluoro-6-methoxyphenyl)-8-[[4-[1-propan-2-yl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 177377977
7-methyl-2-(2-methyl-3-pyridinyl)-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one
CID 129139846
9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yloxy-3-pyridinyl)-7H-purin-8-one
CID 129139820
7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-(trifluoromethoxy)phenyl]purin-8-one
CID 129140170
2-[2-[methyl(propan-2-yl)amino]-3-pyridinyl]-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7H-purin-8-one
CID 129139945
2-(4-chloro-1-propan-2-ylpyrazol-5-yl)-6-hydroxy-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 162378850
2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-8-[[6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methyl]pyrido[2,3-d]pyrimidin-7-one
CID 170095696
2-(2-butan-2-yloxy-3-pyridinyl)-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7H-purin-8-one
CID 129139692
7-(1,1-dioxothietan-3-yl)-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one
CID 129139925
2,8-dichloro-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purine
CID 166094820

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one (CID 170095638) is 2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is Cc1cnn(C(C)C)c1-c1ncc2ccc(=O)n(Cc3ccc(-c4nc(C(F)(F)F)cn4C)cc3)c2n1.
What is the InChIKey of 2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is IFPPAGKHJINAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N7O/c1-15(2)36-22(16(3)11-31-36)23-30-12-19-9-10-21(37)35(25(19)33-23)13-17-5-7-18(8-6-17)24-32-20(14-34(24)4)26(27,28)29/h5-12,14-15H,13H2,1-4H3.
What are the key properties of 2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one?
2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 507.52 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-propan-2-ylpyrazol-5-yl)-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 170095638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).