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

C20H20FN7 — CID 91799479

IUPAC4-(2,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazine
SMILESCc1c2c(nn1C)CCN(c1ncnn3c(C)nc(-c4ccccc4F)c13)C2
InChIInChI=1S/C20H20FN7/c1-12-15-10-27(9-8-17(15)25-26(12)3)20-19-18(14-6-4-5-7-16(14)21)24-13(2)28(19)23-11-22-20/h4-7,11H,8-10H2,1-3H3
InChIKeyAMXUNCQOHMEKKO-UHFFFAOYSA-N
MW377.43 g/mol
LogP2.84
Rot. Bonds2

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

4-(2,3-dimethyl-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 91799479) has the molecular formula C20H20FN7 and a molecular weight of 377.43 g/mol. Its IUPAC name is 4-(2,3-dimethyl-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-(2,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazine
PubChem CID91799479
Molecular FormulaC20H20FN7
Molecular Weight377.43 g/mol
Exact Mass377.18
IUPAC Name4-(2,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazine
SMILESCc1c2c(nn1C)CCN(c1ncnn3c(C)nc(-c4ccccc4F)c13)C2
InChIInChI=1S/C20H20FN7/c1-12-15-10-27(9-8-17(15)25-26(12)3)20-19-18(14-6-4-5-7-16(14)21)24-13(2)28(19)23-11-22-20/h4-7,11H,8-10H2,1-3H3
InChIKeyAMXUNCQOHMEKKO-UHFFFAOYSA-N
XLogP2.84
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(2,3-dimethyl-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-(2,3-dimethyl-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-(2,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazine (CID 91799479) is 4-(2,3-dimethyl-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-(2,3-dimethyl-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-(2,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazine is Cc1c2c(nn1C)CCN(c1ncnn3c(C)nc(-c4ccccc4F)c13)C2.
What is the InChIKey of 4-(2,3-dimethyl-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 AMXUNCQOHMEKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN7/c1-12-15-10-27(9-8-17(15)25-26(12)3)20-19-18(14-6-4-5-7-16(14)21)24-13(2)28(19)23-11-22-20/h4-7,11H,8-10H2,1-3H3.
What are the key properties of 4-(2,3-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-5-(2-fluorophenyl)-7-methylimidazo[5,1-f][1,2,4]triazine?
4-(2,3-dimethyl-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 377.43 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethyl-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 91799479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).