[4-(hydroxymethyl)-2-pyridinyl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C20H20N4O3 — CID 165417713

IUPAC[4-(hydroxymethyl)-2-pyridinyl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCOc1cccc(C2CN(C(=O)c3cc(CO)ccn3)Cc3[nH]cnc32)c1
InChIInChI=1S/C20H20N4O3/c1-27-15-4-2-3-14(8-15)16-9-24(10-18-19(16)23-12-22-18)20(26)17-7-13(11-25)5-6-21-17/h2-8,12,16,25H,9-11H2,1H3,(H,22,23)
InChIKeyUOPRCVVJNJAXCT-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.09
Rot. Bonds4

About [4-(hydroxymethyl)-2-pyridinyl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

[4-(hydroxymethyl)-2-pyridinyl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 165417713) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is [4-(hydroxymethyl)-2-pyridinyl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name[4-(hydroxymethyl)-2-pyridinyl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID165417713
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name[4-(hydroxymethyl)-2-pyridinyl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCOc1cccc(C2CN(C(=O)c3cc(CO)ccn3)Cc3[nH]cnc32)c1
InChIInChI=1S/C20H20N4O3/c1-27-15-4-2-3-14(8-15)16-9-24(10-18-19(16)23-12-22-18)20(26)17-7-13(11-25)5-6-21-17/h2-8,12,16,25H,9-11H2,1H3,(H,22,23)
InChIKeyUOPRCVVJNJAXCT-UHFFFAOYSA-N
XLogP2.09
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-(1H-pyrazol-4-yl)propan-1-one
CID 164696999
1H-indol-6-yl-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 164692468
1H-indol-2-yl-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 164695772
formic acid;3-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1H-pyridin-2-one
CID 171322404
2-(2,6-dimethyl-4-pyridinyl)-1-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone;formic acid
CID 166598211
(2-ethyl-5-methylpyrazol-3-yl)-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid
CID 166598227
2-(3,5-dimethylpyrazol-1-yl)-1-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 165419182
[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methanone
CID 164694408
1,3-dihydro-2-benzofuran-4-yl-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid
CID 166598641
[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-methoxy-4-pyridinyl)methanone
CID 164700123
3,4-dihydro-2H-chromen-6-yl-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone;formic acid
CID 171322513
(3-hydroxy-2-pyridinyl)-[7-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 165427122

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-2-pyridinyl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of [4-(hydroxymethyl)-2-pyridinyl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (CID 165417713) is [4-(hydroxymethyl)-2-pyridinyl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for [4-(hydroxymethyl)-2-pyridinyl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for [4-(hydroxymethyl)-2-pyridinyl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is COc1cccc(C2CN(C(=O)c3cc(CO)ccn3)Cc3[nH]cnc32)c1.
What is the InChIKey of [4-(hydroxymethyl)-2-pyridinyl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is UOPRCVVJNJAXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-27-15-4-2-3-14(8-15)16-9-24(10-18-19(16)23-12-22-18)20(26)17-7-13(11-25)5-6-21-17/h2-8,12,16,25H,9-11H2,1H3,(H,22,23).
What are the key properties of [4-(hydroxymethyl)-2-pyridinyl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
[4-(hydroxymethyl)-2-pyridinyl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 364.41 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-2-pyridinyl]-[7-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 165417713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).