azepan-1-yl-[4-methoxy-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]phenyl]methanone

C23H28N4O2 — CID 99813488

IUPACazepan-1-yl-[4-methoxy-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]phenyl]methanone
SMILESCOc1ccc(C(=O)N2CCCCCC2)cc1NCc1cn2c(C)cccc2n1
InChIInChI=1S/C23H28N4O2/c1-17-8-7-9-22-25-19(16-27(17)22)15-24-20-14-18(10-11-21(20)29-2)23(28)26-12-5-3-4-6-13-26/h7-11,14,16,24H,3-6,12-13,15H2,1-2H3
InChIKeyIJPVREXXYDJEEV-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.28
Rot. Bonds5

About azepan-1-yl-[4-methoxy-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]phenyl]methanone

azepan-1-yl-[4-methoxy-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]phenyl]methanone (PubChem CID 99813488) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is azepan-1-yl-[4-methoxy-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]phenyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[4-methoxy-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]phenyl]methanone
PubChem CID99813488
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Nameazepan-1-yl-[4-methoxy-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]phenyl]methanone
SMILESCOc1ccc(C(=O)N2CCCCCC2)cc1NCc1cn2c(C)cccc2n1
InChIInChI=1S/C23H28N4O2/c1-17-8-7-9-22-25-19(16-27(17)22)15-24-20-14-18(10-11-21(20)29-2)23(28)26-12-5-3-4-6-13-26/h7-11,14,16,24H,3-6,12-13,15H2,1-2H3
InChIKeyIJPVREXXYDJEEV-UHFFFAOYSA-N
XLogP4.28
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze azepan-1-yl-[4-methoxy-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]phenyl]methanone with MolForge

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Related Compounds

azepan-1-yl-[4-methoxy-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]methanone
CID 84588348
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3-(azepane-1-carbonyl)-N-(2-methoxyphenyl)benzamide
CID 109056708
4-methoxy-3-[(6-methoxy-2-pyridinyl)methylamino]benzoic acid
CID 103347714
4,4,4-trifluoro-N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 71926356
(3-ethyl-4-methoxyphenyl)-piperidin-1-ylmethanone
CID 110761899
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(5-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 37280226
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone
CID 51126970
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 119307348
azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 86906608
2-(2-methoxyanilino)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 54817219
ethyl 4-(3-acetamido-4-methoxybenzoyl)-1,4-diazepane-1-carboxylate
CID 110809030

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[4-methoxy-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]phenyl]methanone?
The IUPAC name of azepan-1-yl-[4-methoxy-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]phenyl]methanone (CID 99813488) is azepan-1-yl-[4-methoxy-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]phenyl]methanone.
What is the SMILES notation for azepan-1-yl-[4-methoxy-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]phenyl]methanone?
The canonical SMILES for azepan-1-yl-[4-methoxy-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]phenyl]methanone is COc1ccc(C(=O)N2CCCCCC2)cc1NCc1cn2c(C)cccc2n1.
What is the InChIKey of azepan-1-yl-[4-methoxy-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]phenyl]methanone?
The InChIKey is IJPVREXXYDJEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-17-8-7-9-22-25-19(16-27(17)22)15-24-20-14-18(10-11-21(20)29-2)23(28)26-12-5-3-4-6-13-26/h7-11,14,16,24H,3-6,12-13,15H2,1-2H3.
What are the key properties of azepan-1-yl-[4-methoxy-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]phenyl]methanone?
azepan-1-yl-[4-methoxy-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]phenyl]methanone has a molecular weight of 392.50 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[4-methoxy-3-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]phenyl]methanone is sourced from PubChem (CID 99813488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).