6-[(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C24H22F3N5 — CID 24914635

IUPAC6-[(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ccc2nc(C)c(CN3CCc4nc(-c5ccc(C(F)(F)F)cc5)ncc4C3)n2c1
InChIInChI=1S/C24H22F3N5/c1-15-3-8-22-29-16(2)21(32(22)12-15)14-31-10-9-20-18(13-31)11-28-23(30-20)17-4-6-19(7-5-17)24(25,26)27/h3-8,11-12H,9-10,13-14H2,1-2H3
InChIKeyAZWGCXPSSMCPRC-UHFFFAOYSA-N
MW437.47 g/mol
LogP4.99
Rot. Bonds3

About 6-[(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24914635) has the molecular formula C24H22F3N5 and a molecular weight of 437.47 g/mol. Its IUPAC name is 6-[(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24914635
Molecular FormulaC24H22F3N5
Molecular Weight437.47 g/mol
Exact Mass437.18
IUPAC Name6-[(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ccc2nc(C)c(CN3CCc4nc(-c5ccc(C(F)(F)F)cc5)ncc4C3)n2c1
InChIInChI=1S/C24H22F3N5/c1-15-3-8-22-29-16(2)21(32(22)12-15)14-31-10-9-20-18(13-31)11-28-23(30-20)17-4-6-19(7-5-17)24(25,26)27/h3-8,11-12H,9-10,13-14H2,1-2H3
InChIKeyAZWGCXPSSMCPRC-UHFFFAOYSA-N
XLogP4.99
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.47
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-[(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]aniline
CID 24914634
6-[(4,5-dimethylfuran-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909700
6-[(1-methylpyrazol-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913375
6-[(2-chloro-6-methylquinolin-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911863
6-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928330
6-[(5-phenylthiophen-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911338
6-[(2-fluoro-3-pyridinyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913102
6-[(2,3-difluorophenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928267
6-methyl-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909217
6-[(3,4-diethoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929989
2-pyridin-4-yl-6-[[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915697
6-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912317

Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24914635) is 6-[(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1ccc2nc(C)c(CN3CCc4nc(-c5ccc(C(F)(F)F)cc5)ncc4C3)n2c1.
What is the InChIKey of 6-[(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is AZWGCXPSSMCPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5/c1-15-3-8-22-29-16(2)21(32(22)12-15)14-31-10-9-20-18(13-31)11-28-23(30-20)17-4-6-19(7-5-17)24(25,26)27/h3-8,11-12H,9-10,13-14H2,1-2H3.
What are the key properties of 6-[(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 437.47 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24914635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).