3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propan-1-one

C24H20ClFN6O — CID 153431049

IUPAC3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propan-1-one
SMILESO=C(CCc1ncn2ccc(Cl)cc12)c1cnn(Cc2cn3c(F)c(C4CC4)ccc3n2)c1
InChIInChI=1S/C24H20ClFN6O/c25-17-7-8-30-14-27-20(21(30)9-17)4-5-22(33)16-10-28-31(11-16)12-18-13-32-23(29-18)6-3-19(24(32)26)15-1-2-15/h3,6-11,13-15H,1-2,4-5,12H2
InChIKeyLXCJQQORGKFWMF-UHFFFAOYSA-N
MW462.92 g/mol
LogP4.71
Rot. Bonds7

About 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propan-1-one

3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propan-1-one (PubChem CID 153431049) has the molecular formula C24H20ClFN6O and a molecular weight of 462.92 g/mol. Its IUPAC name is 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propan-1-one
PubChem CID153431049
Molecular FormulaC24H20ClFN6O
Molecular Weight462.92 g/mol
Exact Mass462.14
IUPAC Name3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propan-1-one
SMILESO=C(CCc1ncn2ccc(Cl)cc12)c1cnn(Cc2cn3c(F)c(C4CC4)ccc3n2)c1
InChIInChI=1S/C24H20ClFN6O/c25-17-7-8-30-14-27-20(21(30)9-17)4-5-22(33)16-10-28-31(11-16)12-18-13-32-23(29-18)6-3-19(24(32)26)15-1-2-15/h3,6-11,13-15H,1-2,4-5,12H2
InChIKeyLXCJQQORGKFWMF-UHFFFAOYSA-N
XLogP4.71
TPSA69.49 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 ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propan-1-one?
The IUPAC name of 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propan-1-one (CID 153431049) is 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propan-1-one.
What is the SMILES notation for 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propan-1-one?
The canonical SMILES for 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propan-1-one is O=C(CCc1ncn2ccc(Cl)cc12)c1cnn(Cc2cn3c(F)c(C4CC4)ccc3n2)c1.
What is the InChIKey of 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propan-1-one?
The InChIKey is LXCJQQORGKFWMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClFN6O/c25-17-7-8-30-14-27-20(21(30)9-17)4-5-22(33)16-10-28-31(11-16)12-18-13-32-23(29-18)6-3-19(24(32)26)15-1-2-15/h3,6-11,13-15H,1-2,4-5,12H2.
What are the key properties of 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propan-1-one?
3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propan-1-one has a molecular weight of 462.92 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloroimidazo[1,5-a]pyridin-1-yl)-1-[1-[(6-cyclopropyl-5-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]pyrazol-4-yl]propan-1-one is sourced from PubChem (CID 153431049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).