2-[5-[8-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylimidazo[1,2-a]pyridin-6-yl]-3H-inden-1-yl]ethanol

C30H34N6O — CID 152822034

IUPAC2-[5-[8-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylimidazo[1,2-a]pyridin-6-yl]-3H-inden-1-yl]ethanol
SMILESCCN1CCN(c2ccc(Nc3cc(-c4ccc5c(c4)CC=C5CCO)c(C)n4ccnc34)nc2)CC1
InChIInChI=1S/C30H34N6O/c1-3-34-13-15-35(16-14-34)25-7-9-29(32-20-25)33-28-19-27(21(2)36-12-11-31-30(28)36)24-6-8-26-22(10-17-37)4-5-23(26)18-24/h4,6-9,11-12,18-20,37H,3,5,10,13-17H2,1-2H3,(H,32,33)
InChIKeySUBZFDISKAYQFL-UHFFFAOYSA-N
MW494.64 g/mol
LogP4.91
Rot. Bonds7

About 2-[5-[8-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylimidazo[1,2-a]pyridin-6-yl]-3H-inden-1-yl]ethanol

2-[5-[8-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylimidazo[1,2-a]pyridin-6-yl]-3H-inden-1-yl]ethanol (PubChem CID 152822034) has the molecular formula C30H34N6O and a molecular weight of 494.64 g/mol. Its IUPAC name is 2-[5-[8-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylimidazo[1,2-a]pyridin-6-yl]-3H-inden-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[8-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylimidazo[1,2-a]pyridin-6-yl]-3H-inden-1-yl]ethanol
PubChem CID152822034
Molecular FormulaC30H34N6O
Molecular Weight494.64 g/mol
Exact Mass494.28
IUPAC Name2-[5-[8-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylimidazo[1,2-a]pyridin-6-yl]-3H-inden-1-yl]ethanol
SMILESCCN1CCN(c2ccc(Nc3cc(-c4ccc5c(c4)CC=C5CCO)c(C)n4ccnc34)nc2)CC1
InChIInChI=1S/C30H34N6O/c1-3-34-13-15-35(16-14-34)25-7-9-29(32-20-25)33-28-19-27(21(2)36-12-11-31-30(28)36)24-6-8-26-22(10-17-37)4-5-23(26)18-24/h4,6-9,11-12,18-20,37H,3,5,10,13-17H2,1-2H3,(H,32,33)
InChIKeySUBZFDISKAYQFL-UHFFFAOYSA-N
XLogP4.91
TPSA68.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[5-[8-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylimidazo[1,2-a]pyridin-6-yl]-3H-inden-1-yl]ethanol with MolForge

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Related Compounds

1-[4-[6-[[6-[1-(2-hydroxyethyl)-3H-inden-5-yl]imidazo[1,2-a]pyridin-8-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone
CID 147947953
6-(3H-indol-5-yl)-5-methyl-N-(5-morpholin-4-yl-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine
CID 157435542
6-(3H-isoindol-5-yl)-5-methyl-N-(5-piperazin-1-yl-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine
CID 160634171
methyl 6-bromo-8-[(5-morpholin-4-yl-2-pyridinyl)amino]imidazo[1,2-a]pyridine-5-carboxylate
CID 67404315
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-5-nitropyridin-2-amine
CID 24623423
2-[3-[5-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-5-fluoro-2-(hydroxymethyl)phenyl]pyrazino[1,2-a]indol-1-one
CID 123392510
5-[8-[3-chloro-4-(4-ethylpiperazin-1-yl)anilino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
CID 24988521
3-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
CID 58043951
N-[5-methyl-6-(1H-pyrrolo[3,2-b]pyridin-6-yl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-amine
CID 53390564
N-(5-piperazin-1-yl-2-pyridinyl)-6-piperidin-1-ylimidazo[1,2-b]pyridazin-8-amine
CID 70878752
N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-3-propan-2-yl-2,5,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-12-amine
CID 155077752
N-[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]-4-methyl-3-propan-2-yl-5,10,12-triaza-3-azoniatricyclo[6.4.0.02,6]dodeca-1(12),2,5,8,10-pentaen-11-amine
CID 153319039

Frequently Asked Questions

What is the IUPAC name of 2-[5-[8-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylimidazo[1,2-a]pyridin-6-yl]-3H-inden-1-yl]ethanol?
The IUPAC name of 2-[5-[8-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylimidazo[1,2-a]pyridin-6-yl]-3H-inden-1-yl]ethanol (CID 152822034) is 2-[5-[8-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylimidazo[1,2-a]pyridin-6-yl]-3H-inden-1-yl]ethanol.
What is the SMILES notation for 2-[5-[8-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylimidazo[1,2-a]pyridin-6-yl]-3H-inden-1-yl]ethanol?
The canonical SMILES for 2-[5-[8-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylimidazo[1,2-a]pyridin-6-yl]-3H-inden-1-yl]ethanol is CCN1CCN(c2ccc(Nc3cc(-c4ccc5c(c4)CC=C5CCO)c(C)n4ccnc34)nc2)CC1.
What is the InChIKey of 2-[5-[8-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylimidazo[1,2-a]pyridin-6-yl]-3H-inden-1-yl]ethanol?
The InChIKey is SUBZFDISKAYQFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O/c1-3-34-13-15-35(16-14-34)25-7-9-29(32-20-25)33-28-19-27(21(2)36-12-11-31-30(28)36)24-6-8-26-22(10-17-37)4-5-23(26)18-24/h4,6-9,11-12,18-20,37H,3,5,10,13-17H2,1-2H3,(H,32,33).
What are the key properties of 2-[5-[8-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylimidazo[1,2-a]pyridin-6-yl]-3H-inden-1-yl]ethanol?
2-[5-[8-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylimidazo[1,2-a]pyridin-6-yl]-3H-inden-1-yl]ethanol has a molecular weight of 494.64 g/mol, XLogP of 4.91, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[8-[[5-(4-ethylpiperazin-1-yl)-2-pyridinyl]amino]-5-methylimidazo[1,2-a]pyridin-6-yl]-3H-inden-1-yl]ethanol is sourced from PubChem (CID 152822034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).