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

C18H24F3N5 — CID 24909813

IUPAC6-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1nn(C(C)(C)C)c(C)c1CN1CCc2nc(C(F)(F)F)ncc2C1
InChIInChI=1S/C18H24F3N5/c1-11-14(12(2)26(24-11)17(3,4)5)10-25-7-6-15-13(9-25)8-22-16(23-15)18(19,20)21/h8H,6-7,9-10H2,1-5H3
InChIKeyVQLLEUFVIRWZMX-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.62
Rot. Bonds2

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

6-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24909813) has the molecular formula C18H24F3N5 and a molecular weight of 367.42 g/mol. Its IUPAC name is 6-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24909813
Molecular FormulaC18H24F3N5
Molecular Weight367.42 g/mol
Exact Mass367.20
IUPAC Name6-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1nn(C(C)(C)C)c(C)c1CN1CCc2nc(C(F)(F)F)ncc2C1
InChIInChI=1S/C18H24F3N5/c1-11-14(12(2)26(24-11)17(3,4)5)10-25-7-6-15-13(9-25)8-22-16(23-15)18(19,20)21/h8H,6-7,9-10H2,1-5H3
InChIKeyVQLLEUFVIRWZMX-UHFFFAOYSA-N
XLogP3.62
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(1-Methylpyrazol-4-yl)methyl]-4-pyrrolidin-1-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 97516402
N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]cyclopropanamine
CID 91777622
7-(5-Fluoropyrimidin-2-yl)-4-methyl-2-pyrrolidin-1-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 97404617
2-tert-butyl-6-[(2-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913382
5-fluoro-2-{4-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}pyrimidine
CID 50972624
4-(1-ethylpyrazol-4-yl)-2-[(3S)-3-methylpiperidin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 51852586
N,N-dimethyl-7-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-2-amine
CID 56894397
4-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-5,6-dimethyl-2-(trifluoromethyl)pyrimidine
CID 95226056
7-(5-fluoropyrimidin-2-yl)-N,N-dimethyl-2-pyrrolidin-1-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 97404646
6-[(4-fluorophenyl)methyl]-4-methyl-2-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 97514991
6-[(4-fluorophenyl)methyl]-N,N-dimethyl-2-(1-methylpyrazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-amine
CID 97515124
4-(1-ethyl-1H-pyrazol-4-yl)-2-(3-methylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 44821198

Frequently Asked Questions

What is the IUPAC name of 6-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24909813) is 6-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1nn(C(C)(C)C)c(C)c1CN1CCc2nc(C(F)(F)F)ncc2C1.
What is the InChIKey of 6-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is VQLLEUFVIRWZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N5/c1-11-14(12(2)26(24-11)17(3,4)5)10-25-7-6-15-13(9-25)8-22-16(23-15)18(19,20)21/h8H,6-7,9-10H2,1-5H3.
What are the key properties of 6-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 367.42 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-tert-butyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24909813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).