2-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-1-imidazo[1,2-a]pyridin-3-ylethanone

C25H23N5O — CID 147848554

IUPAC2-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-1-imidazo[1,2-a]pyridin-3-ylethanone
SMILESCCc1nn(Cc2cccc(C)n2)c2cccc(CC(=O)c3cnc4ccccn34)c12
InChIInChI=1S/C25H23N5O/c1-3-20-25-18(14-23(31)22-15-26-24-12-4-5-13-29(22)24)9-7-11-21(25)30(28-20)16-19-10-6-8-17(2)27-19/h4-13,15H,3,14,16H2,1-2H3
InChIKeyHUJFPJFYIKSYJC-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.42
Rot. Bonds6

About 2-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-1-imidazo[1,2-a]pyridin-3-ylethanone

2-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-1-imidazo[1,2-a]pyridin-3-ylethanone (PubChem CID 147848554) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-1-imidazo[1,2-a]pyridin-3-ylethanone.

Molecular Properties

Compound Name2-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-1-imidazo[1,2-a]pyridin-3-ylethanone
PubChem CID147848554
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC Name2-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-1-imidazo[1,2-a]pyridin-3-ylethanone
SMILESCCc1nn(Cc2cccc(C)n2)c2cccc(CC(=O)c3cnc4ccccn34)c12
InChIInChI=1S/C25H23N5O/c1-3-20-25-18(14-23(31)22-15-26-24-12-4-5-13-29(22)24)9-7-11-21(25)30(28-20)16-19-10-6-8-17(2)27-19/h4-13,15H,3,14,16H2,1-2H3
InChIKeyHUJFPJFYIKSYJC-UHFFFAOYSA-N
XLogP4.42
TPSA65.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-ethyl-1-[(2-ethylpyrazol-3-yl)methyl]indazol-4-yl]-1-imidazo[1,2-a]pyridin-3-ylethanone
CID 159943997
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
N-[1-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-ethylindazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 67260935
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
N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride
CID 67260053
7-[ethanimidoyl(methanimidoyl)amino]-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 123743306
3-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-N-(1-methylpyrrolidin-3-yl)imidazo[1,2-a]pyridine-3,7-dicarboxamide
CID 67259558
N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(1-methylpyrrolidin-2-yl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 123952864
N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[2-(1-methylpiperidin-4-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 90146501
N-[3-methyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-pyrrolidin-1-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 57386646

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-1-imidazo[1,2-a]pyridin-3-ylethanone?
The IUPAC name of 2-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-1-imidazo[1,2-a]pyridin-3-ylethanone (CID 147848554) is 2-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-1-imidazo[1,2-a]pyridin-3-ylethanone.
What is the SMILES notation for 2-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-1-imidazo[1,2-a]pyridin-3-ylethanone?
The canonical SMILES for 2-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-1-imidazo[1,2-a]pyridin-3-ylethanone is CCc1nn(Cc2cccc(C)n2)c2cccc(CC(=O)c3cnc4ccccn34)c12.
What is the InChIKey of 2-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-1-imidazo[1,2-a]pyridin-3-ylethanone?
The InChIKey is HUJFPJFYIKSYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c1-3-20-25-18(14-23(31)22-15-26-24-12-4-5-13-29(22)24)9-7-11-21(25)30(28-20)16-19-10-6-8-17(2)27-19/h4-13,15H,3,14,16H2,1-2H3.
What are the key properties of 2-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-1-imidazo[1,2-a]pyridin-3-ylethanone?
2-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-1-imidazo[1,2-a]pyridin-3-ylethanone has a molecular weight of 409.49 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-1-imidazo[1,2-a]pyridin-3-ylethanone is sourced from PubChem (CID 147848554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).