2-[3-ethyl-1-[(2-ethylpyrazol-3-yl)methyl]indazol-4-yl]-1-imidazo[1,2-a]pyridin-3-ylethanone

C24H24N6O — CID 159943997

IUPAC2-[3-ethyl-1-[(2-ethylpyrazol-3-yl)methyl]indazol-4-yl]-1-imidazo[1,2-a]pyridin-3-ylethanone
SMILESCCc1nn(Cc2ccnn2CC)c2cccc(CC(=O)c3cnc4ccccn34)c12
InChIInChI=1S/C24H24N6O/c1-3-19-24-17(14-22(31)21-15-25-23-10-5-6-13-28(21)23)8-7-9-20(24)30(27-19)16-18-11-12-26-29(18)4-2/h5-13,15H,3-4,14,16H2,1-2H3
InChIKeyOBGFHZAEDBNHIX-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.94
Rot. Bonds7

About 2-[3-ethyl-1-[(2-ethylpyrazol-3-yl)methyl]indazol-4-yl]-1-imidazo[1,2-a]pyridin-3-ylethanone

2-[3-ethyl-1-[(2-ethylpyrazol-3-yl)methyl]indazol-4-yl]-1-imidazo[1,2-a]pyridin-3-ylethanone (PubChem CID 159943997) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is 2-[3-ethyl-1-[(2-ethylpyrazol-3-yl)methyl]indazol-4-yl]-1-imidazo[1,2-a]pyridin-3-ylethanone.

Molecular Properties

Compound Name2-[3-ethyl-1-[(2-ethylpyrazol-3-yl)methyl]indazol-4-yl]-1-imidazo[1,2-a]pyridin-3-ylethanone
PubChem CID159943997
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name2-[3-ethyl-1-[(2-ethylpyrazol-3-yl)methyl]indazol-4-yl]-1-imidazo[1,2-a]pyridin-3-ylethanone
SMILESCCc1nn(Cc2ccnn2CC)c2cccc(CC(=O)c3cnc4ccccn34)c12
InChIInChI=1S/C24H24N6O/c1-3-19-24-17(14-22(31)21-15-25-23-10-5-6-13-28(21)23)8-7-9-20(24)30(27-19)16-18-11-12-26-29(18)4-2/h5-13,15H,3-4,14,16H2,1-2H3
InChIKeyOBGFHZAEDBNHIX-UHFFFAOYSA-N
XLogP3.94
TPSA70.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-1-imidazo[1,2-a]pyridin-3-ylethanone
CID 147848554
N-[1-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 67260935
N-[1-[[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]pyrazol-4-yl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 70814928
N-[1-[[6-(2-aminoethoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride
CID 67259273
N-[1-[[6-(3-aminopropoxy)-2-pyridinyl]methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride
CID 67259420
N-[3-ethyl-1-[[6-(piperazin-1-ylmethyl)-2-pyridinyl]methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride
CID 67261449
tert-butyl N-[3-[[6-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]-2-pyridinyl]oxy]propyl]carbamate
CID 67261867
tert-butyl 4-[2-[3-[[3-ethyl-4-(imidazo[1,2-a]pyridine-3-carbonylamino)indazol-1-yl]methyl]pyrazol-1-yl]ethyl]piperazine-1-carboxylate
CID 67261385
N-[3-ethyl-1-[(1-ethylpyrazol-3-yl)methyl]indazol-4-yl]-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 67259773
1-(2-ethylpyrazol-3-yl)-2-(2-methylphenyl)ethanone
CID 63974223
N-[1-[(1,5-dimethylpyrazol-3-yl)methyl]-3-methylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 90160120
2-[3-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]indazol-4-yl]-1-[7-[2-(4-propan-2-ylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]ethanone
CID 147971713

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-1-[(2-ethylpyrazol-3-yl)methyl]indazol-4-yl]-1-imidazo[1,2-a]pyridin-3-ylethanone?
The IUPAC name of 2-[3-ethyl-1-[(2-ethylpyrazol-3-yl)methyl]indazol-4-yl]-1-imidazo[1,2-a]pyridin-3-ylethanone (CID 159943997) is 2-[3-ethyl-1-[(2-ethylpyrazol-3-yl)methyl]indazol-4-yl]-1-imidazo[1,2-a]pyridin-3-ylethanone.
What is the SMILES notation for 2-[3-ethyl-1-[(2-ethylpyrazol-3-yl)methyl]indazol-4-yl]-1-imidazo[1,2-a]pyridin-3-ylethanone?
The canonical SMILES for 2-[3-ethyl-1-[(2-ethylpyrazol-3-yl)methyl]indazol-4-yl]-1-imidazo[1,2-a]pyridin-3-ylethanone is CCc1nn(Cc2ccnn2CC)c2cccc(CC(=O)c3cnc4ccccn34)c12.
What is the InChIKey of 2-[3-ethyl-1-[(2-ethylpyrazol-3-yl)methyl]indazol-4-yl]-1-imidazo[1,2-a]pyridin-3-ylethanone?
The InChIKey is OBGFHZAEDBNHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-3-19-24-17(14-22(31)21-15-25-23-10-5-6-13-28(21)23)8-7-9-20(24)30(27-19)16-18-11-12-26-29(18)4-2/h5-13,15H,3-4,14,16H2,1-2H3.
What are the key properties of 2-[3-ethyl-1-[(2-ethylpyrazol-3-yl)methyl]indazol-4-yl]-1-imidazo[1,2-a]pyridin-3-ylethanone?
2-[3-ethyl-1-[(2-ethylpyrazol-3-yl)methyl]indazol-4-yl]-1-imidazo[1,2-a]pyridin-3-ylethanone has a molecular weight of 412.50 g/mol, XLogP of 3.94, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-1-[(2-ethylpyrazol-3-yl)methyl]indazol-4-yl]-1-imidazo[1,2-a]pyridin-3-ylethanone is sourced from PubChem (CID 159943997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).