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

C29H30N6O2 — CID 147947953

IUPAC1-[4-[6-[[6-[1-(2-hydroxyethyl)-3H-inden-5-yl]imidazo[1,2-a]pyridin-8-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(Nc3cc(-c4ccc5c(c4)CC=C5CCO)cn4ccnc34)nc2)CC1
InChIInChI=1S/C29H30N6O2/c1-20(37)33-11-13-34(14-12-33)25-5-7-28(31-18-25)32-27-17-24(19-35-10-9-30-29(27)35)22-4-6-26-21(8-15-36)2-3-23(26)16-22/h2,4-7,9-10,16-19,36H,3,8,11-15H2,1H3,(H,31,32)
InChIKeyINAVZKKNCPZCNV-UHFFFAOYSA-N
MW494.60 g/mol
LogP4.13
Rot. Bonds6

About 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

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 (PubChem CID 147947953) has the molecular formula C29H30N6O2 and a molecular weight of 494.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[4-[6-[[6-[1-(2-hydroxyethyl)-3H-inden-5-yl]imidazo[1,2-a]pyridin-8-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone
PubChem CID147947953
Molecular FormulaC29H30N6O2
Molecular Weight494.60 g/mol
Exact Mass494.24
IUPAC Name1-[4-[6-[[6-[1-(2-hydroxyethyl)-3H-inden-5-yl]imidazo[1,2-a]pyridin-8-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(Nc3cc(-c4ccc5c(c4)CC=C5CCO)cn4ccnc34)nc2)CC1
InChIInChI=1S/C29H30N6O2/c1-20(37)33-11-13-34(14-12-33)25-5-7-28(31-18-25)32-27-17-24(19-35-10-9-30-29(27)35)22-4-6-26-21(8-15-36)2-3-23(26)16-22/h2,4-7,9-10,16-19,36H,3,8,11-15H2,1H3,(H,31,32)
InChIKeyINAVZKKNCPZCNV-UHFFFAOYSA-N
XLogP4.13
TPSA86.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
2-[3-(hydroxymethyl)-4-[8-[[5-[4-(oxetan-3-yl)piperazin-1-yl]-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]-2-pyridinyl]-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1-one
CID 71557472
6-(3H-indol-5-yl)-5-methyl-N-(5-morpholin-4-yl-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine
CID 157435542
1-[4-(6-hydrazinylimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]ethanone
CID 80927836
2-N-[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyridin-8-yl]-5-N-(2-methoxyethyl)-5-N-methylpyridine-2,5-diamine
CID 147476520
6-(3H-isoindol-5-yl)-5-methyl-N-(5-piperazin-1-yl-2-pyridinyl)imidazo[1,2-a]pyridin-8-amine
CID 160634171
N-[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]-2-methylpropanamide
CID 113026142
1-[4-(6-amino-3-pyridinyl)piperazin-1-yl]-2-hydroxyethanone;8-bromo-6-chloroimidazo[1,2-a]pyridine;5-bromo-2-nitropyridine;1-[4-[6-[(6-chloroimidazo[1,2-a]pyridin-8-yl)amino]-3-pyridinyl]piperazin-1-yl]-2-hydroxyethanone;1-[4-[6-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyridin-8-yl]amino]-3-pyridinyl]piperazin-1-yl]-2-hydroxyethanone;2-hydroxyacetic acid;2-hydroxy-1-[4-(6-nitro-3-pyridinyl)piperazin-1-yl]ethanone;methanol;2-nitro-5-piperidin-1-ylpyridine;piperidine;3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5H-cyclopenta[b]pyridine;hydrochloride
CID 160648254
2-[3-[5-[[5-(4-acetylpiperazin-1-yl)-2-pyridinyl]amino]-1-methyl-6-oxo-3-pyridinyl]-2-(hydroxymethyl)phenyl]-6-tert-butylphthalazin-1-one
CID 44553889
methyl 4-[6-[[2-[4-(2-methyl-4-pyridinyl)phenyl]acetyl]amino]-3-pyridinyl]piperazine-1-carboxylate
CID 58447725
4-[6-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethylamino]-3-pyridinyl]piperazine-1-carboxylic acid
CID 151627782
2-[3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)acetamide
CID 70992605

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N1CCN(c2ccc(Nc3cc(-c4ccc5c(c4)CC=C5CCO)cn4ccnc34)nc2)CC1.
What is the InChIKey of 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?
The InChIKey is INAVZKKNCPZCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O2/c1-20(37)33-11-13-34(14-12-33)25-5-7-28(31-18-25)32-27-17-24(19-35-10-9-30-29(27)35)22-4-6-26-21(8-15-36)2-3-23(26)16-22/h2,4-7,9-10,16-19,36H,3,8,11-15H2,1H3,(H,31,32).
What are the key properties of 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?
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 has a molecular weight of 494.60 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 147947953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).