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

C13H14F3N5 — CID 24910926

IUPAC6-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCn1cc(CN2CCc3nc(C(F)(F)F)ncc3C2)cn1
InChIInChI=1S/C13H14F3N5/c1-20-6-9(4-18-20)7-21-3-2-11-10(8-21)5-17-12(19-11)13(14,15)16/h4-6H,2-3,7-8H2,1H3
InChIKeyVAZMBVMIQVCFSZ-UHFFFAOYSA-N
MW297.28 g/mol
LogP1.79
Rot. Bonds2

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

6-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24910926) has the molecular formula C13H14F3N5 and a molecular weight of 297.28 g/mol. Its IUPAC name is 6-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24910926
Molecular FormulaC13H14F3N5
Molecular Weight297.28 g/mol
Exact Mass297.12
IUPAC Name6-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCn1cc(CN2CCc3nc(C(F)(F)F)ncc3C2)cn1
InChIInChI=1S/C13H14F3N5/c1-20-6-9(4-18-20)7-21-3-2-11-10(8-21)5-17-12(19-11)13(14,15)16/h4-6H,2-3,7-8H2,1H3
InChIKeyVAZMBVMIQVCFSZ-UHFFFAOYSA-N
XLogP1.79
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(trifluoromethyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidine
CID 53471483
2,6-Dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 12450593
6-Methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 12450595
N-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]cyclopropanamine
CID 91777622
2-tert-butyl-6-[(2-methylpyrazol-3-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913382
6-ethyl-N~2~,N~2~,N~4~-trimethyl-N~4~-[(1-methyl-1H-pyrazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 50955306
5-fluoro-2-{4-[(1-isopropyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}pyrimidine
CID 50972624
1-(6-{[1-(Difluoromethyl)-5-methyl-1H-pyrazol-4-YL]sulfonyl}-5H,6H,7H,8H-pyrido[4,3-D]pyrimidin-2-YL)piperidine
CID 53006903
2-(1-methyl-1H-pyrazol-4-yl)-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56863891
2-[4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl]-4-(3,3,3-trifluoropropyl)pyrimidine
CID 56880880
4-[(3S)-3-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-5,6-dimethyl-2-(trifluoromethyl)pyrimidine
CID 95226056
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 103880468

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24910926) is 6-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cn1cc(CN2CCc3nc(C(F)(F)F)ncc3C2)cn1.
What is the InChIKey of 6-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is VAZMBVMIQVCFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5/c1-20-6-9(4-18-20)7-21-3-2-11-10(8-21)5-17-12(19-11)13(14,15)16/h4-6H,2-3,7-8H2,1H3.
What are the key properties of 6-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 297.28 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24910926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).