azocan-1-yl-[3-[8-[(3,4-dimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;molecular hydrogen

C29H34N4O3 — CID 143848767

IUPACazocan-1-yl-[3-[8-[(3,4-dimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;molecular hydrogen
SMILESCOc1ccc(Cc2nc(-c3cccc(C(=O)N4CCCCCCC4)c3)cn3ccnc23)cc1OC.[H][H]
InChIInChI=1S/C29H32N4O3.H2/c1-35-26-12-11-21(18-27(26)36-2)17-24-28-30-13-16-33(28)20-25(31-24)22-9-8-10-23(19-22)29(34)32-14-6-4-3-5-7-15-32;/h8-13,16,18-20H,3-7,14-15,17H2,1-2H3;1H
InChIKeyQDQXGENLEOCYTN-UHFFFAOYSA-N
MW486.62 g/mol
LogP5.66
Rot. Bonds6

About azocan-1-yl-[3-[8-[(3,4-dimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;molecular hydrogen

azocan-1-yl-[3-[8-[(3,4-dimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;molecular hydrogen (PubChem CID 143848767) has the molecular formula C29H34N4O3 and a molecular weight of 486.62 g/mol. Its IUPAC name is azocan-1-yl-[3-[8-[(3,4-dimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;molecular hydrogen.

Molecular Properties

Compound Nameazocan-1-yl-[3-[8-[(3,4-dimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;molecular hydrogen
PubChem CID143848767
Molecular FormulaC29H34N4O3
Molecular Weight486.62 g/mol
Exact Mass486.26
IUPAC Nameazocan-1-yl-[3-[8-[(3,4-dimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;molecular hydrogen
SMILESCOc1ccc(Cc2nc(-c3cccc(C(=O)N4CCCCCCC4)c3)cn3ccnc23)cc1OC.[H][H]
InChIInChI=1S/C29H32N4O3.H2/c1-35-26-12-11-21(18-27(26)36-2)17-24-28-30-13-16-33(28)20-25(31-24)22-9-8-10-23(19-22)29(34)32-14-6-4-3-5-7-15-32;/h8-13,16,18-20H,3-7,14-15,17H2,1-2H3;1H
InChIKeyQDQXGENLEOCYTN-UHFFFAOYSA-N
XLogP5.66
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 32641638
3-[4-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]anilino]benzoic acid
CID 68794839
[3-(3,4-dimethoxyphenyl)phenyl]-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 118760930
[4-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204409
(3,4-dimethoxyphenyl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 30463113
4-[[3-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-N-formylanilino]methyl]benzoic acid
CID 87651146
[2-(2-fluoro-6-methoxyphenyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 56701220
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
[4-(aminomethyl)phenyl]-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119278584
[3-methoxy-4-[[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]oxy]phenyl]-piperidin-1-ylmethanone
CID 3361788
3-(3,4-dimethoxyphenyl)-1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 38462463
2-(3,4-dimethoxyphenyl)-1-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 108547964

Frequently Asked Questions

What is the IUPAC name of azocan-1-yl-[3-[8-[(3,4-dimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;molecular hydrogen?
The IUPAC name of azocan-1-yl-[3-[8-[(3,4-dimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;molecular hydrogen (CID 143848767) is azocan-1-yl-[3-[8-[(3,4-dimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;molecular hydrogen.
What is the SMILES notation for azocan-1-yl-[3-[8-[(3,4-dimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;molecular hydrogen?
The canonical SMILES for azocan-1-yl-[3-[8-[(3,4-dimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;molecular hydrogen is COc1ccc(Cc2nc(-c3cccc(C(=O)N4CCCCCCC4)c3)cn3ccnc23)cc1OC.[H][H].
What is the InChIKey of azocan-1-yl-[3-[8-[(3,4-dimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;molecular hydrogen?
The InChIKey is QDQXGENLEOCYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3.H2/c1-35-26-12-11-21(18-27(26)36-2)17-24-28-30-13-16-33(28)20-25(31-24)22-9-8-10-23(19-22)29(34)32-14-6-4-3-5-7-15-32;/h8-13,16,18-20H,3-7,14-15,17H2,1-2H3;1H.
What are the key properties of azocan-1-yl-[3-[8-[(3,4-dimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;molecular hydrogen?
azocan-1-yl-[3-[8-[(3,4-dimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;molecular hydrogen has a molecular weight of 486.62 g/mol, XLogP of 5.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azocan-1-yl-[3-[8-[(3,4-dimethoxyphenyl)methyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;molecular hydrogen is sourced from PubChem (CID 143848767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).