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

C22H24FN7 — CID 91799409

IUPAC5-(2-fluorophenyl)-7-methyl-4-(1-methyl-3-propan-2-yl-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(C)C)nn4C)C3)ncnn12
InChIInChI=1S/C22H24FN7/c1-13(2)19-16-11-29(10-9-18(16)28(4)27-19)22-21-20(15-7-5-6-8-17(15)23)26-14(3)30(21)25-12-24-22/h5-8,12-13H,9-11H2,1-4H3
InChIKeyIFXJKYPRCPDSHA-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.66
Rot. Bonds3

About 5-(2-fluorophenyl)-7-methyl-4-(1-methyl-3-propan-2-yl-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-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)imidazo[5,1-f][1,2,4]triazine (PubChem CID 91799409) has the molecular formula C22H24FN7 and a molecular weight of 405.48 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-7-methyl-4-(1-methyl-3-propan-2-yl-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-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)imidazo[5,1-f][1,2,4]triazine
PubChem CID91799409
Molecular FormulaC22H24FN7
Molecular Weight405.48 g/mol
Exact Mass405.21
IUPAC Name5-(2-fluorophenyl)-7-methyl-4-(1-methyl-3-propan-2-yl-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(C)C)nn4C)C3)ncnn12
InChIInChI=1S/C22H24FN7/c1-13(2)19-16-11-29(10-9-18(16)28(4)27-19)22-21-20(15-7-5-6-8-17(15)23)26-14(3)30(21)25-12-24-22/h5-8,12-13H,9-11H2,1-4H3
InChIKeyIFXJKYPRCPDSHA-UHFFFAOYSA-N
XLogP3.66
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(2-fluorophenyl)-7-methyl-4-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-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-fluorophenyl)-7-methyl-4-(1-methyl-3-propan-2-yl-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-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)imidazo[5,1-f][1,2,4]triazine (CID 91799409) is 5-(2-fluorophenyl)-7-methyl-4-(1-methyl-3-propan-2-yl-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-propan-2-yl-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-propan-2-yl-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(C)C)nn4C)C3)ncnn12.
What is the InChIKey of 5-(2-fluorophenyl)-7-methyl-4-(1-methyl-3-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)imidazo[5,1-f][1,2,4]triazine?
The InChIKey is IFXJKYPRCPDSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN7/c1-13(2)19-16-11-29(10-9-18(16)28(4)27-19)22-21-20(15-7-5-6-8-17(15)23)26-14(3)30(21)25-12-24-22/h5-8,12-13H,9-11H2,1-4H3.
What are the key properties of 5-(2-fluorophenyl)-7-methyl-4-(1-methyl-3-propan-2-yl-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-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)imidazo[5,1-f][1,2,4]triazine has a molecular weight of 405.48 g/mol, XLogP of 3.66, 3 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-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl)imidazo[5,1-f][1,2,4]triazine is sourced from PubChem (CID 91799409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).