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

C21H21ClFN7 — CID 91799485

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

5-(2-chloro-4-fluorophenyl)-4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methylimidazo[5,1-f][1,2,4]triazine (PubChem CID 91799485) has the molecular formula C21H21ClFN7 and a molecular weight of 425.90 g/mol. Its IUPAC name is 5-(2-chloro-4-fluorophenyl)-4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methylimidazo[5,1-f][1,2,4]triazine.

Molecular Properties

• Compound Name: 5-(2-chloro-4-fluorophenyl)-4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methylimidazo[5,1-f][1,2,4]triazine
• PubChem CID: 91799485
• Molecular Formula: C21H21ClFN7
• Molecular Weight: 425.90 g/mol
• Exact Mass: 425.15
• IUPAC Name: 5-(2-chloro-4-fluorophenyl)-4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methylimidazo[5,1-f][1,2,4]triazine
• SMILES: CCc1nn(C)c2c1CN(c1ncnn3c(C)nc(-c4ccc(F)cc4Cl)c13)CC2
• InChI: InChI=1S/C21H21ClFN7/c1-4-17-15-10-29(8-7-18(15)28(3)27-17)21-20-19(14-6-5-13(23)9-16(14)22)26-12(2)30(20)25-11-24-21/h5-6,9,11H,4,7-8,10H2,1-3H3
• InChIKey: ORZFWUAYZNSYIY-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 64.14 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.90
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-fluorophenyl)-4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methylimidazo[5,1-f][1,2,4]triazine?

The IUPAC name of 5-(2-chloro-4-fluorophenyl)-4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methylimidazo[5,1-f][1,2,4]triazine (CID 91799485) is 5-(2-chloro-4-fluorophenyl)-4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methylimidazo[5,1-f][1,2,4]triazine.

What is the SMILES notation for 5-(2-chloro-4-fluorophenyl)-4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methylimidazo[5,1-f][1,2,4]triazine?

The canonical SMILES for 5-(2-chloro-4-fluorophenyl)-4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methylimidazo[5,1-f][1,2,4]triazine is CCc1nn(C)c2c1CN(c1ncnn3c(C)nc(-c4ccc(F)cc4Cl)c13)CC2.

What is the InChIKey of 5-(2-chloro-4-fluorophenyl)-4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methylimidazo[5,1-f][1,2,4]triazine?

The InChIKey is ORZFWUAYZNSYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClFN7/c1-4-17-15-10-29(8-7-18(15)28(3)27-17)21-20-19(14-6-5-13(23)9-16(14)22)26-12(2)30(20)25-11-24-21/h5-6,9,11H,4,7-8,10H2,1-3H3.

What are the key properties of 5-(2-chloro-4-fluorophenyl)-4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methylimidazo[5,1-f][1,2,4]triazine?

5-(2-chloro-4-fluorophenyl)-4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methylimidazo[5,1-f][1,2,4]triazine has a molecular weight of 425.90 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-chloro-4-fluorophenyl)-4-(3-ethyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)-7-methylimidazo[5,1-f][1,2,4]triazine is sourced from PubChem (CID 91799485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).