5-(2-fluorophenyl)-7-methyl-4-[1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]imidazo[5,1-f][1,2,4]triazine

C20H17F4N7 — CID 91799484

IUPAC5-(2-fluorophenyl)-7-methyl-4-[1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]imidazo[5,1-f][1,2,4]triazine
SMILESCc1nc(-c2ccccc2F)c2c(N3CCc4c(c(C(F)(F)F)nn4C)C3)ncnn12
InChIInChI=1S/C20H17F4N7/c1-11-27-16(12-5-3-4-6-14(12)21)17-19(25-10-26-31(11)17)30-8-7-15-13(9-30)18(20(22,23)24)28-29(15)2/h3-6,10H,7-9H2,1-2H3
InChIKeyGZOJPZVQOHLUSG-UHFFFAOYSA-N
MW431.40 g/mol
LogP3.55
Rot. Bonds2

About 5-(2-fluorophenyl)-7-methyl-4-[1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]imidazo[5,1-f][1,2,4]triazine

5-(2-fluorophenyl)-7-methyl-4-[1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]imidazo[5,1-f][1,2,4]triazine (PubChem CID 91799484) has the molecular formula C20H17F4N7 and a molecular weight of 431.40 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-7-methyl-4-[1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]imidazo[5,1-f][1,2,4]triazine.

Molecular Properties

Compound Name5-(2-fluorophenyl)-7-methyl-4-[1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]imidazo[5,1-f][1,2,4]triazine
PubChem CID91799484
Molecular FormulaC20H17F4N7
Molecular Weight431.40 g/mol
Exact Mass431.15
IUPAC Name5-(2-fluorophenyl)-7-methyl-4-[1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]imidazo[5,1-f][1,2,4]triazine
SMILESCc1nc(-c2ccccc2F)c2c(N3CCc4c(c(C(F)(F)F)nn4C)C3)ncnn12
InChIInChI=1S/C20H17F4N7/c1-11-27-16(12-5-3-4-6-14(12)21)17-19(25-10-26-31(11)17)30-8-7-15-13(9-30)18(20(22,23)24)28-29(15)2/h3-6,10H,7-9H2,1-2H3
InChIKeyGZOJPZVQOHLUSG-UHFFFAOYSA-N
XLogP3.55
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.40
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-7-methyl-4-[1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]imidazo[5,1-f][1,2,4]triazine?
The IUPAC name of 5-(2-fluorophenyl)-7-methyl-4-[1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]imidazo[5,1-f][1,2,4]triazine (CID 91799484) is 5-(2-fluorophenyl)-7-methyl-4-[1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]imidazo[5,1-f][1,2,4]triazine.
What is the SMILES notation for 5-(2-fluorophenyl)-7-methyl-4-[1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]imidazo[5,1-f][1,2,4]triazine?
The canonical SMILES for 5-(2-fluorophenyl)-7-methyl-4-[1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]imidazo[5,1-f][1,2,4]triazine is Cc1nc(-c2ccccc2F)c2c(N3CCc4c(c(C(F)(F)F)nn4C)C3)ncnn12.
What is the InChIKey of 5-(2-fluorophenyl)-7-methyl-4-[1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]imidazo[5,1-f][1,2,4]triazine?
The InChIKey is GZOJPZVQOHLUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F4N7/c1-11-27-16(12-5-3-4-6-14(12)21)17-19(25-10-26-31(11)17)30-8-7-15-13(9-30)18(20(22,23)24)28-29(15)2/h3-6,10H,7-9H2,1-2H3.
What are the key properties of 5-(2-fluorophenyl)-7-methyl-4-[1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]imidazo[5,1-f][1,2,4]triazine?
5-(2-fluorophenyl)-7-methyl-4-[1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]imidazo[5,1-f][1,2,4]triazine has a molecular weight of 431.40 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-7-methyl-4-[1-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]imidazo[5,1-f][1,2,4]triazine is sourced from PubChem (CID 91799484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).