[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

C21H18F4N6O2 — CID 175538975

IUPAC[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
SMILESO=C(c1cc2c(cn1)c(-c1cnc3ccc(F)cn13)nn2C(F)C(F)F)N1CCCOCC1
InChIInChI=1S/C21H18F4N6O2/c22-12-2-3-17-27-10-16(30(17)11-12)18-13-9-26-14(21(32)29-4-1-6-33-7-5-29)8-15(13)31(28-18)20(25)19(23)24/h2-3,8-11,19-20H,1,4-7H2
InChIKeyDXMDAOZIDOLTPL-UHFFFAOYSA-N
MW462.41 g/mol
LogP3.48
Rot. Bonds4

About [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

[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 (PubChem CID 175538975) has the molecular formula C21H18F4N6O2 and a molecular weight of 462.41 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID175538975
Molecular FormulaC21H18F4N6O2
Molecular Weight462.41 g/mol
Exact Mass462.14
IUPAC Name[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
SMILESO=C(c1cc2c(cn1)c(-c1cnc3ccc(F)cn13)nn2C(F)C(F)F)N1CCCOCC1
InChIInChI=1S/C21H18F4N6O2/c22-12-2-3-17-27-10-16(30(17)11-12)18-13-9-26-14(21(32)29-4-1-6-33-7-5-29)8-15(13)31(28-18)20(25)19(23)24/h2-3,8-11,19-20H,1,4-7H2
InChIKeyDXMDAOZIDOLTPL-UHFFFAOYSA-N
XLogP3.48
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.41
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [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 with MolForge

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

Launch Full Analysis

Related Compounds

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
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
[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone
CID 175538963
(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-[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
(4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone
CID 62060048
[3-(6-fluorobenzimidazol-1-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-(1,4-oxazepan-4-yl)methanone
CID 151596194
[3-[(3-fluorophenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-(1,4-oxazepan-4-yl)methanone
CID 163529953
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
[5-(methylamino)-2-pyridinyl]-(1,4-oxazepan-4-yl)methanone
CID 113436167
1,4-oxazepan-4-yl-[1-(2,2,2-trifluoroethyl)-3-[2-(trimethyl-λ4-sulfanyl)ethynyl]pyrazolo[4,3-c]pyridin-6-yl]methanone
CID 166880575
[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

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is O=C(c1cc2c(cn1)c(-c1cnc3ccc(F)cn13)nn2C(F)C(F)F)N1CCCOCC1.
What is the InChIKey of [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?
The InChIKey is DXMDAOZIDOLTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F4N6O2/c22-12-2-3-17-27-10-16(30(17)11-12)18-13-9-26-14(21(32)29-4-1-6-33-7-5-29)8-15(13)31(28-18)20(25)19(23)24/h2-3,8-11,19-20H,1,4-7H2.
What are the key properties of [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?
[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 has a molecular weight of 462.41 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 175538975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).