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

C14H16F3N5 — CID 24912039

IUPAC6-[(1-ethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCn1cc(CN2CCc3nc(C(F)(F)F)ncc3C2)cn1
InChIInChI=1S/C14H16F3N5/c1-2-22-8-10(5-19-22)7-21-4-3-12-11(9-21)6-18-13(20-12)14(15,16)17/h5-6,8H,2-4,7,9H2,1H3
InChIKeyJRKMDNBFIWDYFQ-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.27
Rot. Bonds3

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

6-[(1-ethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 24912039) has the molecular formula C14H16F3N5 and a molecular weight of 311.31 g/mol. Its IUPAC name is 6-[(1-ethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(1-ethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID24912039
Molecular FormulaC14H16F3N5
Molecular Weight311.31 g/mol
Exact Mass311.14
IUPAC Name6-[(1-ethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCn1cc(CN2CCc3nc(C(F)(F)F)ncc3C2)cn1
InChIInChI=1S/C14H16F3N5/c1-2-22-8-10(5-19-22)7-21-4-3-12-11(9-21)6-18-13(20-12)14(15,16)17/h5-6,8H,2-4,7,9H2,1H3
InChIKeyJRKMDNBFIWDYFQ-UHFFFAOYSA-N
XLogP2.27
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-Dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 12450593
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
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
4-(1-ethylpyrazol-4-yl)-2-[(3S)-3-methylpiperidin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 51852586
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
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
6-cyclopropyl-N-methyl-N-[3-(1-methyl-1H-pyrazol-4-yl)propyl]pyrimidin-4-amine
CID 72857492

Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(1-ethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 24912039) is 6-[(1-ethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(1-ethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(1-ethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCn1cc(CN2CCc3nc(C(F)(F)F)ncc3C2)cn1.
What is the InChIKey of 6-[(1-ethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is JRKMDNBFIWDYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5/c1-2-22-8-10(5-19-22)7-21-4-3-12-11(9-21)6-18-13(20-12)14(15,16)17/h5-6,8H,2-4,7,9H2,1H3.
What are the key properties of 6-[(1-ethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(1-ethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 311.31 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 24912039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).