azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(2-methylsulfonylethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone

C23H25FN6O3S — CID 151436657

IUPACazepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(2-methylsulfonylethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone
SMILESCS(=O)(=O)CCn1nc(-c2cnc3ccc(F)cn23)c2cnc(C(=O)N3CCCCCC3)cc21
InChIInChI=1S/C23H25FN6O3S/c1-34(32,33)11-10-30-19-12-18(23(31)28-8-4-2-3-5-9-28)25-13-17(19)22(27-30)20-14-26-21-7-6-16(24)15-29(20)21/h6-7,12-15H,2-5,8-11H2,1H3
InChIKeyPDQLMKQEANRTGZ-UHFFFAOYSA-N
MW484.56 g/mol
LogP2.95
Rot. Bonds5

About azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(2-methylsulfonylethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone

azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(2-methylsulfonylethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone (PubChem CID 151436657) has the molecular formula C23H25FN6O3S and a molecular weight of 484.56 g/mol. Its IUPAC name is azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(2-methylsulfonylethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(2-methylsulfonylethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone
PubChem CID151436657
Molecular FormulaC23H25FN6O3S
Molecular Weight484.56 g/mol
Exact Mass484.17
IUPAC Nameazepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(2-methylsulfonylethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone
SMILESCS(=O)(=O)CCn1nc(-c2cnc3ccc(F)cn23)c2cnc(C(=O)N3CCCCCC3)cc21
InChIInChI=1S/C23H25FN6O3S/c1-34(32,33)11-10-30-19-12-18(23(31)28-8-4-2-3-5-9-28)25-13-17(19)22(27-30)20-14-26-21-7-6-16(24)15-29(20)21/h6-7,12-15H,2-5,8-11H2,1H3
InChIKeyPDQLMKQEANRTGZ-UHFFFAOYSA-N
XLogP2.95
TPSA102.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-[2-(trimethyl-λ4-sulfanyl)ethoxymethyl]pyrazolo[4,3-c]pyridin-6-yl]methanone
CID 166880501
[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-(1,4-oxazepan-4-yl)methanone
CID 175538975
azepan-1-yl-[3-[6-(methoxymethyl)imidazo[1,2-a]pyridin-3-yl]-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone
CID 175538945
azepan-1-yl-[3-(6-cyclopropylimidazo[1,2-a]pyridin-3-yl)-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone
CID 175538990
[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-(4-hydroxyazepan-1-yl)methanone
CID 151059996
tert-butyl 2-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptane-6-carboxylate
CID 162493675
N-ethyl-3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-methyl-N-propan-2-ylindazole-6-carboxamide
CID 58522788
(E)-3-[5-[6-(azepane-1-carbonyl)-1-methylpyrazolo[4,3-c]pyridin-3-yl]-2-methylimidazol-1-yl]prop-2-enenitrile
CID 166880492
azepan-1-yl-[3-fluoro-4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)phenyl]methanone
CID 58522765
[3-(3-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone
CID 56848051
(3-aminoazepan-1-yl)-[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone;hydrochloride
CID 175539034
azepan-1-yl-[4-(6-fluoroimidazo[1,2-a]pyridine-3-carbonyl)-3-nitrophenyl]methanone
CID 58522744

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(2-methylsulfonylethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone?
The IUPAC name of azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(2-methylsulfonylethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone (CID 151436657) is azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(2-methylsulfonylethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone.
What is the SMILES notation for azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(2-methylsulfonylethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone?
The canonical SMILES for azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(2-methylsulfonylethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone is CS(=O)(=O)CCn1nc(-c2cnc3ccc(F)cn23)c2cnc(C(=O)N3CCCCCC3)cc21.
What is the InChIKey of azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(2-methylsulfonylethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone?
The InChIKey is PDQLMKQEANRTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6O3S/c1-34(32,33)11-10-30-19-12-18(23(31)28-8-4-2-3-5-9-28)25-13-17(19)22(27-30)20-14-26-21-7-6-16(24)15-29(20)21/h6-7,12-15H,2-5,8-11H2,1H3.
What are the key properties of azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(2-methylsulfonylethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone?
azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(2-methylsulfonylethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone has a molecular weight of 484.56 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(2-methylsulfonylethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone is sourced from PubChem (CID 151436657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).