[2-methyl-3-(trifluoromethyl)phenyl]-[4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

C19H16F3N5O — CID 86281427

IUPAC[2-methyl-3-(trifluoromethyl)phenyl]-[4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESCc1c(C(=O)N2CCc3c(ncnc3-c3ccn[nH]3)C2)cccc1C(F)(F)F
InChIInChI=1S/C19H16F3N5O/c1-11-12(3-2-4-14(11)19(20,21)22)18(28)27-8-6-13-16(9-27)23-10-24-17(13)15-5-7-25-26-15/h2-5,7,10H,6,8-9H2,1H3,(H,25,26)
InChIKeyHSTYOIFAPJGPSV-UHFFFAOYSA-N
MW387.37 g/mol
LogP3.39
Rot. Bonds2

About [2-methyl-3-(trifluoromethyl)phenyl]-[4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

[2-methyl-3-(trifluoromethyl)phenyl]-[4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (PubChem CID 86281427) has the molecular formula C19H16F3N5O and a molecular weight of 387.37 g/mol. Its IUPAC name is [2-methyl-3-(trifluoromethyl)phenyl]-[4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.

Molecular Properties

Compound Name[2-methyl-3-(trifluoromethyl)phenyl]-[4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
PubChem CID86281427
Molecular FormulaC19H16F3N5O
Molecular Weight387.37 g/mol
Exact Mass387.13
IUPAC Name[2-methyl-3-(trifluoromethyl)phenyl]-[4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
SMILESCc1c(C(=O)N2CCc3c(ncnc3-c3ccn[nH]3)C2)cccc1C(F)(F)F
InChIInChI=1S/C19H16F3N5O/c1-11-12(3-2-4-14(11)19(20,21)22)18(28)27-8-6-13-16(9-27)23-10-24-17(13)15-5-7-25-26-15/h2-5,7,10H,6,8-9H2,1H3,(H,25,26)
InChIKeyHSTYOIFAPJGPSV-UHFFFAOYSA-N
XLogP3.39
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-chloro-3-(trifluoromethyl)phenyl]-[4-(1-methylpyrazol-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 86281677
[2-chloro-3-(trifluoromethyl)phenyl]-(3-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)methanone
CID 129153076
[2-fluoro-3-(trifluoromethyl)phenyl]-[1-(1H-pyrazol-5-yl)-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]methanone
CID 86270816
[4-(benzotriazol-1-yloxy)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[2-chloro-3-(trifluoromethyl)phenyl]methanone
CID 90407553
[2-chloro-3-(trifluoromethyl)phenyl]-[2-methyl-4-(1,3-thiazol-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 86282223
(3-chloro-2-methylphenyl)-(4-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 131696916
[2-chloro-3-(trifluoromethyl)phenyl]-(2-methyl-3-pyrimidin-5-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-6-yl)methanone
CID 90408755
(5,6-dichlorocyclohexa-1,5-dien-3-yn-1-yl)-[2-methyl-4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 134504891
(4-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-(2-chlorophenyl)methanone
CID 69269263
11-[2-(trifluoromethyl)benzoyl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 87052536
(2,3-dimethylphenyl)-[4-(3-propylpyrazol-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone
CID 123210711
[2-amino-6-methyl-4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-[2-chloro-3-(trifluoromethyl)phenyl]methanone
CID 86282499

Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-(trifluoromethyl)phenyl]-[4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The IUPAC name of [2-methyl-3-(trifluoromethyl)phenyl]-[4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone (CID 86281427) is [2-methyl-3-(trifluoromethyl)phenyl]-[4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone.
What is the SMILES notation for [2-methyl-3-(trifluoromethyl)phenyl]-[4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The canonical SMILES for [2-methyl-3-(trifluoromethyl)phenyl]-[4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is Cc1c(C(=O)N2CCc3c(ncnc3-c3ccn[nH]3)C2)cccc1C(F)(F)F.
What is the InChIKey of [2-methyl-3-(trifluoromethyl)phenyl]-[4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
The InChIKey is HSTYOIFAPJGPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O/c1-11-12(3-2-4-14(11)19(20,21)22)18(28)27-8-6-13-16(9-27)23-10-24-17(13)15-5-7-25-26-15/h2-5,7,10H,6,8-9H2,1H3,(H,25,26).
What are the key properties of [2-methyl-3-(trifluoromethyl)phenyl]-[4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone?
[2-methyl-3-(trifluoromethyl)phenyl]-[4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone has a molecular weight of 387.37 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-(trifluoromethyl)phenyl]-[4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone is sourced from PubChem (CID 86281427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).