2-(3,4-dimethoxyphenyl)-1-[4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone

C20H23N5O3 — CID 166248958

IUPAC2-(3,4-dimethoxyphenyl)-1-[4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCc3[nH]cnc3C2c2ccnn2C)cc1OC
InChIInChI=1S/C20H23N5O3/c1-24-15(6-8-23-24)20-19-14(21-12-22-19)7-9-25(20)18(26)11-13-4-5-16(27-2)17(10-13)28-3/h4-6,8,10,12,20H,7,9,11H2,1-3H3,(H,21,22)
InChIKeyRYOXTNXOMVDSMI-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.88
Rot. Bonds5

About 2-(3,4-dimethoxyphenyl)-1-[4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone

2-(3,4-dimethoxyphenyl)-1-[4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone (PubChem CID 166248958) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-1-[4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-1-[4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
PubChem CID166248958
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name2-(3,4-dimethoxyphenyl)-1-[4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
SMILESCOc1ccc(CC(=O)N2CCc3[nH]cnc3C2c2ccnn2C)cc1OC
InChIInChI=1S/C20H23N5O3/c1-24-15(6-8-23-24)20-19-14(21-12-22-19)7-9-25(20)18(26)11-13-4-5-16(27-2)17(10-13)28-3/h4-6,8,10,12,20H,7,9,11H2,1-3H3,(H,21,22)
InChIKeyRYOXTNXOMVDSMI-UHFFFAOYSA-N
XLogP1.88
TPSA85.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(2-methoxyethoxy)phenyl]-4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 126834723
2-(3H-benzimidazol-5-yl)-1-[(4S)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 92612204
2-(3-fluorophenyl)-1-(4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 53145378
5-[4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1H-indazole-3-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167831833
3-(1-methylpyrazol-4-yl)-1-[(4S)-4-pyridin-4-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
CID 99928379
1-[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-4-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 120810489
methyl (2R)-2-[[(4S)-4-(2,5-dimethoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]amino]-3-phenylpropanoate
CID 51841919
2-(3,4-dimethoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanone
CID 63960954
cyclopropyl-[6,7-dimethoxy-1-(2-methylpyrazol-3-yl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 110223198
2-(3,4-dimethoxyphenyl)-1-[4-[2-(3,4-dimethoxyphenyl)acetyl]-2,5-dimethylpiperazin-1-yl]ethanone
CID 4048681
2-(3,4-dimethoxyphenyl)-1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 82705101
1-[(4R)-4-(4-methoxyphenyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-quinolin-8-ylethanone
CID 92614221

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-1-[4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-1-[4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone (CID 166248958) is 2-(3,4-dimethoxyphenyl)-1-[4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-1-[4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-1-[4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone is COc1ccc(CC(=O)N2CCc3[nH]cnc3C2c2ccnn2C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-1-[4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone?
The InChIKey is RYOXTNXOMVDSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-24-15(6-8-23-24)20-19-14(21-12-22-19)7-9-25(20)18(26)11-13-4-5-16(27-2)17(10-13)28-3/h4-6,8,10,12,20H,7,9,11H2,1-3H3,(H,21,22).
What are the key properties of 2-(3,4-dimethoxyphenyl)-1-[4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone?
2-(3,4-dimethoxyphenyl)-1-[4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone has a molecular weight of 381.44 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-1-[4-(2-methylpyrazol-3-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 166248958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).