azepan-1-yl-[3-[[2-(2-methoxyphenyl)ethylamino]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]methanone

C25H32N4O2 — CID 29087201

IUPACazepan-1-yl-[3-[[2-(2-methoxyphenyl)ethylamino]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]methanone
SMILESCOc1ccccc1CCNCc1c(C(=O)N2CCCCCC2)nc2cc(C)ccn12
InChIInChI=1S/C25H32N4O2/c1-19-12-16-29-21(18-26-13-11-20-9-5-6-10-22(20)31-2)24(27-23(29)17-19)25(30)28-14-7-3-4-8-15-28/h5-6,9-10,12,16-17,26H,3-4,7-8,11,13-15,18H2,1-2H3
InChIKeyFCHZTFGFTWDEQC-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.00
Rot. Bonds7

About azepan-1-yl-[3-[[2-(2-methoxyphenyl)ethylamino]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]methanone

azepan-1-yl-[3-[[2-(2-methoxyphenyl)ethylamino]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]methanone (PubChem CID 29087201) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is azepan-1-yl-[3-[[2-(2-methoxyphenyl)ethylamino]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[3-[[2-(2-methoxyphenyl)ethylamino]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]methanone
PubChem CID29087201
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Nameazepan-1-yl-[3-[[2-(2-methoxyphenyl)ethylamino]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]methanone
SMILESCOc1ccccc1CCNCc1c(C(=O)N2CCCCCC2)nc2cc(C)ccn12
InChIInChI=1S/C25H32N4O2/c1-19-12-16-29-21(18-26-13-11-20-9-5-6-10-22(20)31-2)24(27-23(29)17-19)25(30)28-14-7-3-4-8-15-28/h5-6,9-10,12,16-17,26H,3-4,7-8,11,13-15,18H2,1-2H3
InChIKeyFCHZTFGFTWDEQC-UHFFFAOYSA-N
XLogP4.00
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

azepan-1-yl-[7-methyl-3-[[(3-methyl-1,2-oxazol-5-yl)methylamino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 42594207
4-[[[2-(azepane-1-carbonyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylamino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 45228640
1-(azepan-1-yl)-2-[2-(2-methoxyphenyl)ethylamino]ethanone
CID 109000634
2-[2-[[2-(2-methoxy-5-methylphenyl)ethylamino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 119109358
3-(azepane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 109055466
[3-[[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]methyl]imidazo[1,2-a]pyridin-2-yl]-pyrrolidin-1-ylmethanone
CID 45207558
azepan-1-yl-[7-methyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 31044096
2-(azepane-1-carbonyl)-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109088111
[2-[2-(2-methoxyphenyl)ethylamino]-6-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109323130
2-[3-[(2-methoxyphenyl)methylamino]-7-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 24821425
[(5R)-5-[2-(2-methoxyphenyl)ethylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 26141742
azepan-1-yl-[(5S)-5-[2-(2-methoxyphenyl)ethylamino]-1-methyl-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 26143098

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[3-[[2-(2-methoxyphenyl)ethylamino]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]methanone?
The IUPAC name of azepan-1-yl-[3-[[2-(2-methoxyphenyl)ethylamino]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]methanone (CID 29087201) is azepan-1-yl-[3-[[2-(2-methoxyphenyl)ethylamino]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]methanone.
What is the SMILES notation for azepan-1-yl-[3-[[2-(2-methoxyphenyl)ethylamino]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]methanone?
The canonical SMILES for azepan-1-yl-[3-[[2-(2-methoxyphenyl)ethylamino]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]methanone is COc1ccccc1CCNCc1c(C(=O)N2CCCCCC2)nc2cc(C)ccn12.
What is the InChIKey of azepan-1-yl-[3-[[2-(2-methoxyphenyl)ethylamino]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]methanone?
The InChIKey is FCHZTFGFTWDEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-19-12-16-29-21(18-26-13-11-20-9-5-6-10-22(20)31-2)24(27-23(29)17-19)25(30)28-14-7-3-4-8-15-28/h5-6,9-10,12,16-17,26H,3-4,7-8,11,13-15,18H2,1-2H3.
What are the key properties of azepan-1-yl-[3-[[2-(2-methoxyphenyl)ethylamino]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]methanone?
azepan-1-yl-[3-[[2-(2-methoxyphenyl)ethylamino]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]methanone has a molecular weight of 420.56 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[3-[[2-(2-methoxyphenyl)ethylamino]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]methanone is sourced from PubChem (CID 29087201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).