6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C14H16F3N5O — CID 135944062

IUPAC6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1cc(CN2CCc3nc(C(F)(F)F)[nH]c(=O)c3C2)n(C)n1
InChIInChI=1S/C14H16F3N5O/c1-8-5-9(21(2)20-8)6-22-4-3-11-10(7-22)12(23)19-13(18-11)14(15,16)17/h5H,3-4,6-7H2,1-2H3,(H,18,19,23)
InChIKeyNPICEULYIZZCDS-UHFFFAOYSA-N
MW327.31 g/mol
LogP1.39
Rot. Bonds2

About 6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135944062) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is 6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135944062
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC Name6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1cc(CN2CCc3nc(C(F)(F)F)[nH]c(=O)c3C2)n(C)n1
InChIInChI=1S/C14H16F3N5O/c1-8-5-9(21(2)20-8)6-22-4-3-11-10(7-22)12(23)19-13(18-11)14(15,16)17/h5H,3-4,6-7H2,1-2H3,(H,18,19,23)
InChIKeyNPICEULYIZZCDS-UHFFFAOYSA-N
XLogP1.39
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136203834
6-methyl-4-oxo-N-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-ylmethyl)-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 74239390
2-(3-(3,5-dimethyl-1H-pyrazol-1-yl)propanoyl)-8-fluoro-3,4-dihydro-1H-dipyrido[1,2-a:4',3'-d]pyrimidin-11(2H)-one
CID 91632581
2-[[5-Cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide
CID 122630641
2-[[3-Cyclopropyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide
CID 122630761
2-[[5-Cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-7-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxamide
CID 122630848
2-[[3-(1,1-difluoroethyl)-5-methylpyrazol-1-yl]methyl]-6-[(2S)-pentan-2-yl]pyrido[1,2-a]pyrimidin-4-one
CID 134493100
5-fluoro-2-[5-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]-1H-pyrimidin-6-one
CID 145046939
1-[1-acetyl-6-[(2S)-1-[3-[amino(difluoro)methyl]-5-methylpyrazol-1-yl]propan-2-yl]imino-2-pyridinyl]ethanone
CID 146186630
2-[7-Fluoro-2-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-4-oxopyrido[1,2-a]pyrimidin-6-yl]acetonitrile
CID 146190324
N-[2-(diethylamino)ethyl]-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19563752
N-[2-(diethylamino)ethyl]-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19566613

Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135944062) is 6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1cc(CN2CCc3nc(C(F)(F)F)[nH]c(=O)c3C2)n(C)n1.
What is the InChIKey of 6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is NPICEULYIZZCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O/c1-8-5-9(21(2)20-8)6-22-4-3-11-10(7-22)12(23)19-13(18-11)14(15,16)17/h5H,3-4,6-7H2,1-2H3,(H,18,19,23).
What are the key properties of 6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 327.31 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135944062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).