7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine

C22H21F4N7O — CID 158141484

IUPAC7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCn3nc(C(F)(F)F)nc3C2C)ncn1
InChIInChI=1S/C22H21F4N7O/c1-11(2)34-17-7-14-13(6-15(17)23)9-27-19(14)16-8-18(29-10-28-16)32-4-5-33-20(12(32)3)30-21(31-33)22(24,25)26/h6-8,10-12H,4-5,9H2,1-3H3
InChIKeyFTZNGWVHGAIYOI-UHFFFAOYSA-N
MW475.45 g/mol
LogP3.95
Rot. Bonds4

About 7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine

7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 158141484) has the molecular formula C22H21F4N7O and a molecular weight of 475.45 g/mol. Its IUPAC name is 7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID158141484
Molecular FormulaC22H21F4N7O
Molecular Weight475.45 g/mol
Exact Mass475.17
IUPAC Name7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCn3nc(C(F)(F)F)nc3C2C)ncn1
InChIInChI=1S/C22H21F4N7O/c1-11(2)34-17-7-14-13(6-15(17)23)9-27-19(14)16-8-18(29-10-28-16)32-4-5-33-20(12(32)3)30-21(31-33)22(24,25)26/h6-8,10-12H,4-5,9H2,1-3H3
InChIKeyFTZNGWVHGAIYOI-UHFFFAOYSA-N
XLogP3.95
TPSA81.32 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.45
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine with MolForge

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Related Compounds

Mak-683
CID 121412508
7-(4,6-Di-tert-butylpyrimidin-2-yl)-3-(4-trifluoromethoxyphenyl)-5,6,7,8-tetrahydro(1,2,4)triazolo(4,3-a)pyrazine
CID 91884614
3-Fluoropropyl 4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl ether
CID 3692931
6-[4-[4-[2-(1-methyl-1H-pyrazol-5-yl)ethoxy]phenyl]piperidin-1-yl]-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine
CID 42635876
2-(2,3-Difluorophenyl)-5-[[6-[4-propoxy-2-(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]imidazo[4,5-d]pyridazine
CID 44216905
2-(2,3-Difluorophenyl)-5-[[5-[4-propoxy-2-(trifluoromethyl)phenyl]pyrimidin-2-yl]methyl]imidazo[4,5-d]pyridazine
CID 44218208
2-(2,3-Difluorophenyl)-5-[[5-[4-propoxy-2-(trifluoromethyl)phenyl]pyrazin-2-yl]methyl]imidazo[4,5-d]pyridazine
CID 57857990
(3S)-1-[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-amine
CID 66598093
3-[3-Fluoro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1-methylpyrazolo[3,4-d]pyrimidin-6-amine
CID 68962036
3-(6-Ethoxy-2-naphthyl)-1-(1-propyl-4-piperidyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 70697147
4-(4-Methoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
CID 74767127
US9580437, Example 57
CID 121432869

Frequently Asked Questions

What is the IUPAC name of 7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The IUPAC name of 7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine (CID 158141484) is 7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine.
What is the SMILES notation for 7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The canonical SMILES for 7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine is CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCn3nc(C(F)(F)F)nc3C2C)ncn1.
What is the InChIKey of 7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is FTZNGWVHGAIYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F4N7O/c1-11(2)34-17-7-14-13(6-15(17)23)9-27-19(14)16-8-18(29-10-28-16)32-4-5-33-20(12(32)3)30-21(31-33)22(24,25)26/h6-8,10-12H,4-5,9H2,1-3H3.
What are the key properties of 7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine has a molecular weight of 475.45 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine is sourced from PubChem (CID 158141484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).