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

C21H22FN7 — CID 91799483

IUPAC4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazine
SMILESCCc1nn(C)c2c1CN(c1ncnn3c(C)nc(-c4ccccc4F)c13)CC2
InChIInChI=1S/C21H22FN7/c1-4-17-15-11-28(10-9-18(15)27(3)26-17)21-20-19(14-7-5-6-8-16(14)22)25-13(2)29(20)24-12-23-21/h5-8,12H,4,9-11H2,1-3H3
InChIKeyJDFBORTWMSETMR-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.10
Rot. Bonds3

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

4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazine (PubChem CID 91799483) has the molecular formula C21H22FN7 and a molecular weight of 391.45 g/mol. Its IUPAC name is 4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazine.

Molecular Properties

Compound Name4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazine
PubChem CID91799483
Molecular FormulaC21H22FN7
Molecular Weight391.45 g/mol
Exact Mass391.19
IUPAC Name4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazine
SMILESCCc1nn(C)c2c1CN(c1ncnn3c(C)nc(-c4ccccc4F)c13)CC2
InChIInChI=1S/C21H22FN7/c1-4-17-15-11-28(10-9-18(15)27(3)26-17)21-20-19(14-7-5-6-8-16(14)22)25-13(2)29(20)24-12-23-21/h5-8,12H,4,9-11H2,1-3H3
InChIKeyJDFBORTWMSETMR-UHFFFAOYSA-N
XLogP3.10
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazine?
The IUPAC name of 4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazine (CID 91799483) is 4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazine.
What is the SMILES notation for 4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazine?
The canonical SMILES for 4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazine is CCc1nn(C)c2c1CN(c1ncnn3c(C)nc(-c4ccccc4F)c13)CC2.
What is the InChIKey of 4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazine?
The InChIKey is JDFBORTWMSETMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN7/c1-4-17-15-11-28(10-9-18(15)27(3)26-17)21-20-19(14-7-5-6-8-16(14)22)25-13(2)29(20)24-12-23-21/h5-8,12H,4,9-11H2,1-3H3.
What are the key properties of 4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazine?
4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazine has a molecular weight of 391.45 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazine is sourced from PubChem (CID 91799483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).