3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazol-5-yl]propan-1-one

C21H17ClFN9O — CID 157131402

IUPAC3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazol-5-yl]propan-1-one
SMILESO=C(CCc1ncn2ccc(Cl)c(F)c12)c1nnn(Cc2cn3nc(C4CC4)ccc3n2)n1
InChIInChI=1S/C21H17ClFN9O/c22-14-7-8-30-11-24-16(20(30)19(14)23)3-5-17(33)21-26-29-32(28-21)10-13-9-31-18(25-13)6-4-15(27-31)12-1-2-12/h4,6-9,11-12H,1-3,5,10H2
InChIKeyKFMSJTIILHFZKR-UHFFFAOYSA-N
MW465.88 g/mol
LogP2.90
Rot. Bonds7

About 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazol-5-yl]propan-1-one

3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazol-5-yl]propan-1-one (PubChem CID 157131402) has the molecular formula C21H17ClFN9O and a molecular weight of 465.88 g/mol. Its IUPAC name is 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazol-5-yl]propan-1-one.

Molecular Properties

Compound Name3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazol-5-yl]propan-1-one
PubChem CID157131402
Molecular FormulaC21H17ClFN9O
Molecular Weight465.88 g/mol
Exact Mass465.12
IUPAC Name3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazol-5-yl]propan-1-one
SMILESO=C(CCc1ncn2ccc(Cl)c(F)c12)c1nnn(Cc2cn3nc(C4CC4)ccc3n2)n1
InChIInChI=1S/C21H17ClFN9O/c22-14-7-8-30-11-24-16(20(30)19(14)23)3-5-17(33)21-26-29-32(28-21)10-13-9-31-18(25-13)6-4-15(27-31)12-1-2-12/h4,6-9,11-12H,1-3,5,10H2
InChIKeyKFMSJTIILHFZKR-UHFFFAOYSA-N
XLogP2.90
TPSA108.16 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.88
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazol-5-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazol-5-yl]propan-1-one?
The IUPAC name of 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazol-5-yl]propan-1-one (CID 157131402) is 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazol-5-yl]propan-1-one.
What is the SMILES notation for 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazol-5-yl]propan-1-one?
The canonical SMILES for 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazol-5-yl]propan-1-one is O=C(CCc1ncn2ccc(Cl)c(F)c12)c1nnn(Cc2cn3nc(C4CC4)ccc3n2)n1.
What is the InChIKey of 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazol-5-yl]propan-1-one?
The InChIKey is KFMSJTIILHFZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN9O/c22-14-7-8-30-11-24-16(20(30)19(14)23)3-5-17(33)21-26-29-32(28-21)10-13-9-31-18(25-13)6-4-15(27-31)12-1-2-12/h4,6-9,11-12H,1-3,5,10H2.
What are the key properties of 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazol-5-yl]propan-1-one?
3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazol-5-yl]propan-1-one has a molecular weight of 465.88 g/mol, XLogP of 2.90, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)-1-[2-[(6-cyclopropylimidazo[1,2-b]pyridazin-2-yl)methyl]tetrazol-5-yl]propan-1-one is sourced from PubChem (CID 157131402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).