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

C25H25F3N6O — CID 175538990

IUPACazepan-1-yl-[3-(6-cyclopropylimidazo[1,2-a]pyridin-3-yl)-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone
SMILESO=C(c1cc2c(cn1)c(-c1cnc3ccc(C4CC4)cn13)nn2C(F)C(F)F)N1CCCCCC1
InChIInChI=1S/C25H25F3N6O/c26-23(27)24(28)34-19-11-18(25(35)32-9-3-1-2-4-10-32)29-12-17(19)22(31-34)20-13-30-21-8-7-16(14-33(20)21)15-5-6-15/h7-8,11-15,23-24H,1-6,9-10H2
InChIKeyADDZZUBTIUBXES-UHFFFAOYSA-N
MW482.51 g/mol
LogP5.37
Rot. Bonds5

About 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

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 (PubChem CID 175538990) has the molecular formula C25H25F3N6O and a molecular weight of 482.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nameazepan-1-yl-[3-(6-cyclopropylimidazo[1,2-a]pyridin-3-yl)-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone
PubChem CID175538990
Molecular FormulaC25H25F3N6O
Molecular Weight482.51 g/mol
Exact Mass482.20
IUPAC Nameazepan-1-yl-[3-(6-cyclopropylimidazo[1,2-a]pyridin-3-yl)-1-(1,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone
SMILESO=C(c1cc2c(cn1)c(-c1cnc3ccc(C4CC4)cn13)nn2C(F)C(F)F)N1CCCCCC1
InChIInChI=1S/C25H25F3N6O/c26-23(27)24(28)34-19-11-18(25(35)32-9-3-1-2-4-10-32)29-12-17(19)22(31-34)20-13-30-21-8-7-16(14-33(20)21)15-5-6-15/h7-8,11-15,23-24H,1-6,9-10H2
InChIKeyADDZZUBTIUBXES-UHFFFAOYSA-N
XLogP5.37
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.51
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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-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
(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-methylsulfonylethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone
CID 151436657
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-(6,8-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
(4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone
CID 78791688
(E)-3-[5-[6-(azepane-1-carbonyl)-1-methylpyrazolo[4,3-c]pyridin-3-yl]-2-methylimidazol-1-yl]prop-2-enenitrile
CID 166880492
[3-(3-methylphenyl)imidazo[1,2-a]pyridin-6-yl]-piperidin-1-ylmethanone
CID 56848051
[6-(2-phenylethynyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(4-phenylpiperidin-1-yl)methanone
CID 50912868
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
3-[4-[[(3R)-1-(5-cyanopyridine-2-carbonyl)piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 53253010

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(c1cc2c(cn1)c(-c1cnc3ccc(C4CC4)cn13)nn2C(F)C(F)F)N1CCCCCC1.
What is the InChIKey of 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?
The InChIKey is ADDZZUBTIUBXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N6O/c26-23(27)24(28)34-19-11-18(25(35)32-9-3-1-2-4-10-32)29-12-17(19)22(31-34)20-13-30-21-8-7-16(14-33(20)21)15-5-6-15/h7-8,11-15,23-24H,1-6,9-10H2.
What are the key properties of 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?
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 has a molecular weight of 482.51 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 175538990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).