3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazol-4-yl]propan-1-one

C24H20ClFN6O — CID 158313473

IUPAC3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazol-4-yl]propan-1-one
SMILESO=C(CCc1ncn2ccc(Cl)c(F)c12)c1cn(CC2=Nc3cc(C4CC4)ccc3C2)nn1
InChIInChI=1S/C24H20ClFN6O/c25-18-7-8-31-13-27-19(24(31)23(18)26)5-6-22(33)21-12-32(30-29-21)11-17-9-16-4-3-15(14-1-2-14)10-20(16)28-17/h3-4,7-8,10,12-14H,1-2,5-6,9,11H2
InChIKeyGGCMNOXWCSJMDB-UHFFFAOYSA-N
MW462.92 g/mol
LogP4.74
Rot. Bonds7

About 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazol-4-yl]propan-1-one

3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazol-4-yl]propan-1-one (PubChem CID 158313473) has the molecular formula C24H20ClFN6O and a molecular weight of 462.92 g/mol. Its IUPAC name is 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazol-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazol-4-yl]propan-1-one
PubChem CID158313473
Molecular FormulaC24H20ClFN6O
Molecular Weight462.92 g/mol
Exact Mass462.14
IUPAC Name3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazol-4-yl]propan-1-one
SMILESO=C(CCc1ncn2ccc(Cl)c(F)c12)c1cn(CC2=Nc3cc(C4CC4)ccc3C2)nn1
InChIInChI=1S/C24H20ClFN6O/c25-18-7-8-31-13-27-19(24(31)23(18)26)5-6-22(33)21-12-32(30-29-21)11-17-9-16-4-3-15(14-1-2-14)10-20(16)28-17/h3-4,7-8,10,12-14H,1-2,5-6,9,11H2
InChIKeyGGCMNOXWCSJMDB-UHFFFAOYSA-N
XLogP4.74
TPSA77.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.92
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazol-4-yl]propan-1-one with MolForge

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Related Compounds

[1-[[4-(4-Chlorophenyl)phenyl]methyl]triazol-4-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone
CID 155550677
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(5-cyclopropyl-1-methylindol-2-yl)methyl]triazole-4-carboxamide
CID 139487417
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropylindolizin-2-yl)methyl]triazole-4-carboxamide
CID 139488295
N-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-1H-indol-2-yl)methyl]triazole-4-carboxamide
CID 139488015
(6-chloropyrimidin-4-yl)-[1-[3-[(3R)-3-fluoropyrrolidin-1-yl]propyl]indol-3-yl]methanone
CID 87603766
(6-Chloropyrimidin-4-yl)-[6-fluoro-1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]methanone
CID 87604253
(6-chloropyrimidin-4-yl)-[1-[3-[(3S)-3-fluoropyrrolidin-1-yl]propyl]indol-3-yl]methanone
CID 89193607
[4-(3-Chloro-4-fluorophenyl)cyclohexyl]-(7-cyclopropylimidazo[1,5-a]pyridin-8-yl)methanone
CID 134382057
2-(11-Chloro-10-fluoro-4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(12),2,4,8,10-pentaen-7-yl)-1-[4-(2-methylindazol-6-yl)cyclohexyl]ethanone
CID 141529029
(6-Chloropyrimidin-4-yl)-[1-[3-(3-fluoropyrrolidin-1-yl)propyl]indol-3-yl]methanone
CID 143791377
1-(6-Chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propan-1-one
CID 147470724
3-(7-Chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(difluoromethyl)pyrazol-4-yl]propan-1-one
CID 153431001

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazol-4-yl]propan-1-one?
The IUPAC name of 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazol-4-yl]propan-1-one (CID 158313473) is 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazol-4-yl]propan-1-one.
What is the SMILES notation for 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazol-4-yl]propan-1-one?
The canonical SMILES for 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazol-4-yl]propan-1-one is O=C(CCc1ncn2ccc(Cl)c(F)c12)c1cn(CC2=Nc3cc(C4CC4)ccc3C2)nn1.
What is the InChIKey of 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazol-4-yl]propan-1-one?
The InChIKey is GGCMNOXWCSJMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN6O/c25-18-7-8-31-13-27-19(24(31)23(18)26)5-6-22(33)21-12-32(30-29-21)11-17-9-16-4-3-15(14-1-2-14)10-20(16)28-17/h3-4,7-8,10,12-14H,1-2,5-6,9,11H2.
What are the key properties of 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazol-4-yl]propan-1-one?
3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazol-4-yl]propan-1-one has a molecular weight of 462.92 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-3H-indol-2-yl)methyl]triazol-4-yl]propan-1-one is sourced from PubChem (CID 158313473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).