1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propan-1-one

C25H24ClFN4O — CID 147470724

IUPAC1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propan-1-one
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)CCC1CCCc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C25H24ClFN4O/c1-2-21-25(30-15-17(26)7-13-24(30)29-21)23(32)12-6-16-4-3-5-22-20(16)14-28-31(22)19-10-8-18(27)9-11-19/h7-11,13-16H,2-6,12H2,1H3
InChIKeyFBSGBPZQLDSAHR-UHFFFAOYSA-N
MW450.95 g/mol
LogP5.96
Rot. Bonds6

About 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propan-1-one

1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propan-1-one (PubChem CID 147470724) has the molecular formula C25H24ClFN4O and a molecular weight of 450.95 g/mol. Its IUPAC name is 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propan-1-one.

Molecular Properties

Compound Name1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propan-1-one
PubChem CID147470724
Molecular FormulaC25H24ClFN4O
Molecular Weight450.95 g/mol
Exact Mass450.16
IUPAC Name1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propan-1-one
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)CCC1CCCc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C25H24ClFN4O/c1-2-21-25(30-15-17(26)7-13-24(30)29-21)23(32)12-6-16-4-3-5-22-20(16)14-28-31(22)19-10-8-18(27)9-11-19/h7-11,13-16H,2-6,12H2,1H3
InChIKeyFBSGBPZQLDSAHR-UHFFFAOYSA-N
XLogP5.96
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.95
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(3,4-difluorophenyl)methylcarbamoyl]-2-fluorophenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71291191
4-chloro-2-fluoro-N-(6-(4-(4-fluorophenyl)-1,2-dimethyl-1H-imidazol-5-yl) imidazo[1,2-b]pyridazin-2-yl) benzamide
CID 118538787
US9884868, Example 151''
CID 122510669
US9884868, Example 116''
CID 122510890
US9884868, Example 117''
CID 122510909
8-[[2-Fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzoyl]amino]-7-phenylimidazo[1,2-a]pyridine-3-carboxamide
CID 122609212
[5-Chloro-2-(2-methylimidazo[4,5-d]pyridazin-3-yl)phenyl]-(2-chlorophenyl)methanone
CID 10000001
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]propan-2-yl]pyrazole-3-carboxamide
CID 56682033
[1-[[4-(4-Chlorophenyl)phenyl]methyl]triazol-4-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone
CID 155550677
N-[(1R)-1-(4-chlorophenyl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 164611515
N-[(1S)-1-(4-chlorophenyl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 164618055
N-[(4-chlorophenyl)methyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 164628067

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propan-1-one?
The IUPAC name of 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propan-1-one (CID 147470724) is 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propan-1-one.
What is the SMILES notation for 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propan-1-one?
The canonical SMILES for 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propan-1-one is CCc1nc2ccc(Cl)cn2c1C(=O)CCC1CCCc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propan-1-one?
The InChIKey is FBSGBPZQLDSAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClFN4O/c1-2-21-25(30-15-17(26)7-13-24(30)29-21)23(32)12-6-16-4-3-5-22-20(16)14-28-31(22)19-10-8-18(27)9-11-19/h7-11,13-16H,2-6,12H2,1H3.
What are the key properties of 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propan-1-one?
1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propan-1-one has a molecular weight of 450.95 g/mol, XLogP of 5.96, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-2-ethylimidazo[1,2-a]pyridin-3-yl)-3-[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propan-1-one is sourced from PubChem (CID 147470724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).