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

C19H17ClFN7 — CID 91799488

IUPAC5-(2-chloro-4-fluorophenyl)-7-methyl-4-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)imidazo[5,1-f][1,2,4]triazine
SMILESCc1nc(-c2ccc(F)cc2Cl)c2c(N3CCc4cnn(C)c4C3)ncnn12
InChIInChI=1S/C19H17ClFN7/c1-11-25-17(14-4-3-13(21)7-15(14)20)18-19(22-10-24-28(11)18)27-6-5-12-8-23-26(2)16(12)9-27/h3-4,7-8,10H,5-6,9H2,1-2H3
InChIKeyATOXRSRTUIGIRQ-UHFFFAOYSA-N
MW397.85 g/mol
LogP3.19
Rot. Bonds2

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

5-(2-chloro-4-fluorophenyl)-7-methyl-4-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)imidazo[5,1-f][1,2,4]triazine (PubChem CID 91799488) has the molecular formula C19H17ClFN7 and a molecular weight of 397.85 g/mol. Its IUPAC name is 5-(2-chloro-4-fluorophenyl)-7-methyl-4-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)imidazo[5,1-f][1,2,4]triazine.

Molecular Properties

Compound Name5-(2-chloro-4-fluorophenyl)-7-methyl-4-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)imidazo[5,1-f][1,2,4]triazine
PubChem CID91799488
Molecular FormulaC19H17ClFN7
Molecular Weight397.85 g/mol
Exact Mass397.12
IUPAC Name5-(2-chloro-4-fluorophenyl)-7-methyl-4-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)imidazo[5,1-f][1,2,4]triazine
SMILESCc1nc(-c2ccc(F)cc2Cl)c2c(N3CCc4cnn(C)c4C3)ncnn12
InChIInChI=1S/C19H17ClFN7/c1-11-25-17(14-4-3-13(21)7-15(14)20)18-19(22-10-24-28(11)18)27-6-5-12-8-23-26(2)16(12)9-27/h3-4,7-8,10H,5-6,9H2,1-2H3
InChIKeyATOXRSRTUIGIRQ-UHFFFAOYSA-N
XLogP3.19
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.85
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-fluorophenyl)-7-methyl-4-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)imidazo[5,1-f][1,2,4]triazine?
The IUPAC name of 5-(2-chloro-4-fluorophenyl)-7-methyl-4-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)imidazo[5,1-f][1,2,4]triazine (CID 91799488) is 5-(2-chloro-4-fluorophenyl)-7-methyl-4-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)imidazo[5,1-f][1,2,4]triazine.
What is the SMILES notation for 5-(2-chloro-4-fluorophenyl)-7-methyl-4-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)imidazo[5,1-f][1,2,4]triazine?
The canonical SMILES for 5-(2-chloro-4-fluorophenyl)-7-methyl-4-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)imidazo[5,1-f][1,2,4]triazine is Cc1nc(-c2ccc(F)cc2Cl)c2c(N3CCc4cnn(C)c4C3)ncnn12.
What is the InChIKey of 5-(2-chloro-4-fluorophenyl)-7-methyl-4-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)imidazo[5,1-f][1,2,4]triazine?
The InChIKey is ATOXRSRTUIGIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClFN7/c1-11-25-17(14-4-3-13(21)7-15(14)20)18-19(22-10-24-28(11)18)27-6-5-12-8-23-26(2)16(12)9-27/h3-4,7-8,10H,5-6,9H2,1-2H3.
What are the key properties of 5-(2-chloro-4-fluorophenyl)-7-methyl-4-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)imidazo[5,1-f][1,2,4]triazine?
5-(2-chloro-4-fluorophenyl)-7-methyl-4-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)imidazo[5,1-f][1,2,4]triazine has a molecular weight of 397.85 g/mol, XLogP of 3.19, 2 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)-7-methyl-4-(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)imidazo[5,1-f][1,2,4]triazine is sourced from PubChem (CID 91799488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).