[4-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone

C29H30N4O3 — CID 36636036

IUPAC[4-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCCN(C(=O)c3ccccc3OCc3cn4cccc(C)c4n3)CC2)c1
InChIInChI=1S/C29H30N4O3/c1-21-8-5-10-23(18-21)28(34)31-14-7-15-32(17-16-31)29(35)25-11-3-4-12-26(25)36-20-24-19-33-13-6-9-22(2)27(33)30-24/h3-6,8-13,18-19H,7,14-17,20H2,1-2H3
InChIKeyVXWRROJREZKNBW-UHFFFAOYSA-N
MW482.58 g/mol
LogP4.52
Rot. Bonds5

About [4-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone

[4-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone (PubChem CID 36636036) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is [4-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
PubChem CID36636036
Molecular FormulaC29H30N4O3
Molecular Weight482.58 g/mol
Exact Mass482.23
IUPAC Name[4-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2CCCN(C(=O)c3ccccc3OCc3cn4cccc(C)c4n3)CC2)c1
InChIInChI=1S/C29H30N4O3/c1-21-8-5-10-23(18-21)28(34)31-14-7-15-32(17-16-31)29(35)25-11-3-4-12-26(25)36-20-24-19-33-13-6-9-22(2)27(33)30-24/h3-6,8-13,18-19H,7,14-17,20H2,1-2H3
InChIKeyVXWRROJREZKNBW-UHFFFAOYSA-N
XLogP4.52
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone
CID 24682976
[4-(4-fluorophenyl)piperazin-1-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone
CID 55503896
[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38169426
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone
CID 120659124
[3-(methylaminomethyl)piperidin-1-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride
CID 119397448
N-[1-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-3-yl]methanesulfonamide
CID 55679342
N-ethyl-N-methyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 134005773
N'-(4-methoxybenzoyl)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzohydrazide
CID 24653958
N-ethyl-N-(2-hydroxyethyl)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 78855005
N-(2-amino-2-methylpropyl)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 119628901
N-[2-(methylamino)ethyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride
CID 119502756
2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 24617089

Frequently Asked Questions

What is the IUPAC name of [4-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone?
The IUPAC name of [4-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone (CID 36636036) is [4-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [4-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [4-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone is Cc1cccc(C(=O)N2CCCN(C(=O)c3ccccc3OCc3cn4cccc(C)c4n3)CC2)c1.
What is the InChIKey of [4-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone?
The InChIKey is VXWRROJREZKNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-21-8-5-10-23(18-21)28(34)31-14-7-15-32(17-16-31)29(35)25-11-3-4-12-26(25)36-20-24-19-33-13-6-9-22(2)27(33)30-24/h3-6,8-13,18-19H,7,14-17,20H2,1-2H3.
What are the key properties of [4-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone?
[4-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone has a molecular weight of 482.58 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 36636036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).