6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C20H20F3N5O — CID 24913215

IUPAC6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ccc(-n2ncc(CN3CCc4nc(C(F)(F)F)ncc4C3)c2C)cc1
InChIInChI=1S/C20H20F3N5O/c1-13-14(10-25-28(13)16-3-5-17(29-2)6-4-16)11-27-8-7-18-15(12-27)9-24-19(26-18)20(21,22)23/h3-6,9-10H,7-8,11-12H2,1-2H3
InChIKeyYGYBENVNHFIVLI-UHFFFAOYSA-N
MW403.41 g/mol
LogP3.56
Rot. Bonds4

About 6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24913215) has the molecular formula C20H20F3N5O and a molecular weight of 403.41 g/mol. Its IUPAC name is 6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24913215
Molecular FormulaC20H20F3N5O
Molecular Weight403.41 g/mol
Exact Mass403.16
IUPAC Name6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCOc1ccc(-n2ncc(CN3CCc4nc(C(F)(F)F)ncc4C3)c2C)cc1
InChIInChI=1S/C20H20F3N5O/c1-13-14(10-25-28(13)16-3-5-17(29-2)6-4-16)11-27-8-7-18-15(12-27)9-24-19(26-18)20(21,22)23/h3-6,9-10H,7-8,11-12H2,1-2H3
InChIKeyYGYBENVNHFIVLI-UHFFFAOYSA-N
XLogP3.56
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24913218
6-[(5-ethylthiophen-2-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910044
6-[(2-fluoro-3-pyridinyl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913089
6-[(3-methylthiophen-2-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24908745
6-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916344
6-[(2-chloro-8-methylquinolin-3-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912291
2-cyclohexyl-6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944695
2-tert-butyl-6-[(2,4-dimethoxy-3-methylphenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928610
1-[3-[[2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]indol-1-yl]ethanone
CID 24909267
6-(quinolin-2-ylmethyl)-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909603
6-[(1-phenyltriazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24909708
2-tert-butyl-6-[(2-methoxy-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913802

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24913215) is 6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is COc1ccc(-n2ncc(CN3CCc4nc(C(F)(F)F)ncc4C3)c2C)cc1.
What is the InChIKey of 6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is YGYBENVNHFIVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O/c1-13-14(10-25-28(13)16-3-5-17(29-2)6-4-16)11-27-8-7-18-15(12-27)9-24-19(26-18)20(21,22)23/h3-6,9-10H,7-8,11-12H2,1-2H3.
What are the key properties of 6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 403.41 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24913215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).