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

C22H20F4N8O — CID 90398413

IUPAC7-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCC1c2nc(C(F)(F)F)nn2CCN1c1cc(-c2n[nH]c3cc(F)c(OC4(C)CC4)cc23)ncn1
InChIInChI=1S/C22H20F4N8O/c1-11-19-29-20(22(24,25)26)32-34(19)6-5-33(11)17-9-15(27-10-28-17)18-12-7-16(35-21(2)3-4-21)13(23)8-14(12)30-31-18/h7-11H,3-6H2,1-2H3,(H,30,31)
InChIKeyCTVYHLDMLCEGLC-UHFFFAOYSA-N
MW488.45 g/mol
LogP4.28
Rot. Bonds4

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

7-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine (PubChem CID 90398413) has the molecular formula C22H20F4N8O and a molecular weight of 488.45 g/mol. Its IUPAC name is 7-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-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-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
PubChem CID90398413
Molecular FormulaC22H20F4N8O
Molecular Weight488.45 g/mol
Exact Mass488.17
IUPAC Name7-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine
SMILESCC1c2nc(C(F)(F)F)nn2CCN1c1cc(-c2n[nH]c3cc(F)c(OC4(C)CC4)cc23)ncn1
InChIInChI=1S/C22H20F4N8O/c1-11-19-29-20(22(24,25)26)32-34(19)6-5-33(11)17-9-15(27-10-28-17)18-12-7-16(35-21(2)3-4-21)13(23)8-14(12)30-31-18/h7-11H,3-6H2,1-2H3,(H,30,31)
InChIKeyCTVYHLDMLCEGLC-UHFFFAOYSA-N
XLogP4.28
TPSA97.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.45
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-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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Frequently Asked Questions

What is the IUPAC name of 7-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-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-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine (CID 90398413) is 7-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-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-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-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-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine is CC1c2nc(C(F)(F)F)nn2CCN1c1cc(-c2n[nH]c3cc(F)c(OC4(C)CC4)cc23)ncn1.
What is the InChIKey of 7-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
The InChIKey is CTVYHLDMLCEGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F4N8O/c1-11-19-29-20(22(24,25)26)32-34(19)6-5-33(11)17-9-15(27-10-28-17)18-12-7-16(35-21(2)3-4-21)13(23)8-14(12)30-31-18/h7-11H,3-6H2,1-2H3,(H,30,31).
What are the key properties of 7-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyrimidin-4-yl]-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine?
7-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-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 488.45 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-[6-fluoro-5-(1-methylcyclopropyl)oxy-1H-indazol-3-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 90398413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).