2-[(4-methoxyphenyl)methyl-methylamino]-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone

C24H28N4O3 — CID 92607565

IUPAC2-[(4-methoxyphenyl)methyl-methylamino]-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
SMILESCOc1ccc(CN(C)CC(=O)N2CCc3[nH]cnc3[C@H]2c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H28N4O3/c1-27(14-17-4-8-19(30-2)9-5-17)15-22(29)28-13-12-21-23(26-16-25-21)24(28)18-6-10-20(31-3)11-7-18/h4-11,16,24H,12-15H2,1-3H3,(H,25,26)/t24-/m1/s1
InChIKeyMROXQMOXALKLGA-XMMPIXPASA-N
MW420.51 g/mol
LogP3.03
Rot. Bonds7

About 2-[(4-methoxyphenyl)methyl-methylamino]-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone

2-[(4-methoxyphenyl)methyl-methylamino]-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone (PubChem CID 92607565) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl-methylamino]-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl-methylamino]-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
PubChem CID92607565
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name2-[(4-methoxyphenyl)methyl-methylamino]-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
SMILESCOc1ccc(CN(C)CC(=O)N2CCc3[nH]cnc3[C@H]2c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H28N4O3/c1-27(14-17-4-8-19(30-2)9-5-17)15-22(29)28-13-12-21-23(26-16-25-21)24(28)18-6-10-20(31-3)11-7-18/h4-11,16,24H,12-15H2,1-3H3,(H,25,26)/t24-/m1/s1
InChIKeyMROXQMOXALKLGA-XMMPIXPASA-N
XLogP3.03
TPSA70.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3H-benzimidazol-5-yl)-1-[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 92612204
1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-quinolin-8-ylethanone
CID 92614221
[3-(4-fluorophenyl)-1,2-oxazol-5-yl]-[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 46979992
4-[[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoic acid
CID 51974744
(2S)-2-(3-fluorophenoxy)-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
CID 92551386
methyl (2R)-2-[[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]-3-phenylpropanoate
CID 51837584
[5-ethyl-4-(methoxymethyl)furan-2-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 92588449
methyl 2-[[4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]benzoate
CID 42648805
(2R)-2-(2-fluorophenoxy)-1-[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
CID 92551387
[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 92595424
ethane;1-[4-(3-fluorophenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-[methyl-[(3-methylphenyl)methyl]amino]propan-1-one
CID 91332114
(2S)-2-(4-chloropyrazol-1-yl)-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
CID 92551394

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl-methylamino]-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-[(4-methoxyphenyl)methyl-methylamino]-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone (CID 92607565) is 2-[(4-methoxyphenyl)methyl-methylamino]-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl-methylamino]-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl-methylamino]-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone is COc1ccc(CN(C)CC(=O)N2CCc3[nH]cnc3[C@H]2c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl-methylamino]-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone?
The InChIKey is MROXQMOXALKLGA-XMMPIXPASA-N. The full InChI is InChI=1S/C24H28N4O3/c1-27(14-17-4-8-19(30-2)9-5-17)15-22(29)28-13-12-21-23(26-16-25-21)24(28)18-6-10-20(31-3)11-7-18/h4-11,16,24H,12-15H2,1-3H3,(H,25,26)/t24-/m1/s1.
What are the key properties of 2-[(4-methoxyphenyl)methyl-methylamino]-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone?
2-[(4-methoxyphenyl)methyl-methylamino]-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone has a molecular weight of 420.51 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl-methylamino]-1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 92607565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).