azepan-1-yl-[7-methyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone

C25H32N6O — CID 31044096

IUPACazepan-1-yl-[7-methyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
SMILESCc1ccn2c(CN3CCN(c4ccncc4)CC3)c(C(=O)N3CCCCCC3)nc2c1
InChIInChI=1S/C25H32N6O/c1-20-8-13-31-22(19-28-14-16-29(17-15-28)21-6-9-26-10-7-21)24(27-23(31)18-20)25(32)30-11-4-2-3-5-12-30/h6-10,13,18H,2-5,11-12,14-17,19H2,1H3
InChIKeyDNWIDJUDKAMVIY-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.38
Rot. Bonds4

About azepan-1-yl-[7-methyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone

azepan-1-yl-[7-methyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone (PubChem CID 31044096) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is azepan-1-yl-[7-methyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[7-methyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
PubChem CID31044096
Molecular FormulaC25H32N6O
Molecular Weight432.57 g/mol
Exact Mass432.26
IUPAC Nameazepan-1-yl-[7-methyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
SMILESCc1ccn2c(CN3CCN(c4ccncc4)CC3)c(C(=O)N3CCCCCC3)nc2c1
InChIInChI=1S/C25H32N6O/c1-20-8-13-31-22(19-28-14-16-29(17-15-28)21-6-9-26-10-7-21)24(27-23(31)18-20)25(32)30-11-4-2-3-5-12-30/h6-10,13,18H,2-5,11-12,14-17,19H2,1H3
InChIKeyDNWIDJUDKAMVIY-UHFFFAOYSA-N
XLogP3.38
TPSA56.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

azepan-1-yl-[7-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 56877917
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(5-methyl-2-pyrrolidin-1-ylphenyl)methanone
CID 75421319
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 112770860
azepan-1-yl-[7-methyl-3-[[methyl(1,2-oxazol-5-ylmethyl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 56881018
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
(5-bromofuran-2-yl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone
CID 112770870
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(1-pyrazin-2-ylpiperidin-4-yl)methanone
CID 112816261
(5-bromo-2-fluorophenyl)-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]methanone
CID 112770952
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 112816808
[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-[1-(4-fluorophenyl)pyrazol-3-yl]methanone
CID 112822053
azepan-1-yl-[3-[[2-(2-methoxyphenyl)ethylamino]methyl]-7-methylimidazo[1,2-a]pyridin-2-yl]methanone
CID 29087201
azepan-1-yl-[7-methyl-3-[[methyl-[(1S)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 29215643

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[7-methyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The IUPAC name of azepan-1-yl-[7-methyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone (CID 31044096) is azepan-1-yl-[7-methyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone.
What is the SMILES notation for azepan-1-yl-[7-methyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The canonical SMILES for azepan-1-yl-[7-methyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone is Cc1ccn2c(CN3CCN(c4ccncc4)CC3)c(C(=O)N3CCCCCC3)nc2c1.
What is the InChIKey of azepan-1-yl-[7-methyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
The InChIKey is DNWIDJUDKAMVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O/c1-20-8-13-31-22(19-28-14-16-29(17-15-28)21-6-9-26-10-7-21)24(27-23(31)18-20)25(32)30-11-4-2-3-5-12-30/h6-10,13,18H,2-5,11-12,14-17,19H2,1H3.
What are the key properties of azepan-1-yl-[7-methyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone?
azepan-1-yl-[7-methyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone has a molecular weight of 432.57 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[7-methyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone is sourced from PubChem (CID 31044096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).