1-[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

C18H19N5O2S — CID 91778642

IUPAC1-[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCOc1ccc(-c2nc3c([nH]2)CN(C(=O)Cc2csc(C)n2)CC3)cn1
InChIInChI=1S/C18H19N5O2S/c1-11-20-13(10-26-11)7-17(24)23-6-5-14-15(9-23)22-18(21-14)12-3-4-16(25-2)19-8-12/h3-4,8,10H,5-7,9H2,1-2H3,(H,21,22)
InChIKeyMVVPQUVDPMKLGK-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.37
Rot. Bonds4

About 1-[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone

1-[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone (PubChem CID 91778642) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is 1-[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
PubChem CID91778642
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC Name1-[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
SMILESCOc1ccc(-c2nc3c([nH]2)CN(C(=O)Cc2csc(C)n2)CC3)cn1
InChIInChI=1S/C18H19N5O2S/c1-11-20-13(10-26-11)7-17(24)23-6-5-14-15(9-23)22-18(21-14)12-3-4-16(25-2)19-8-12/h3-4,8,10H,5-7,9H2,1-2H3,(H,21,22)
InChIKeyMVVPQUVDPMKLGK-UHFFFAOYSA-N
XLogP2.37
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone with MolForge

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Related Compounds

N-cyclohexyl-2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 91776186
5-[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carbonyl]-1-methylpyridin-2-one
CID 91772254
1-[5-[[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-1-methylpyrrol-3-yl]ethanone
CID 91769357
4-[5-(2-pyridin-2-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]benzoic acid
CID 91778749
2-methoxy-5-[[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]phenol
CID 91774519
2-(2-methoxyethoxy)-1-(2-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
CID 72891552
4-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperazin-2-one
CID 47101126
(2S)-2-ethylsulfanyl-1-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propan-1-one
CID 97435799
1-[2-[3-(hydroxymethyl)phenyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-pyridin-2-ylethanone
CID 91793391
6-methyl-5-[2-oxo-2-[2-(1H-pyrazol-4-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1H-pyrimidine-2,4-dione
CID 77085838
1-[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-[(2S)-morpholin-2-yl]ethanone
CID 97438500
[2-(4-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-pyrrolidin-3-ylmethanone
CID 72931543

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone (CID 91778642) is 1-[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone is COc1ccc(-c2nc3c([nH]2)CN(C(=O)Cc2csc(C)n2)CC3)cn1.
What is the InChIKey of 1-[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
The InChIKey is MVVPQUVDPMKLGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-11-20-13(10-26-11)7-17(24)23-6-5-14-15(9-23)22-18(21-14)12-3-4-16(25-2)19-8-12/h3-4,8,10H,5-7,9H2,1-2H3,(H,21,22).
What are the key properties of 1-[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone?
1-[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone has a molecular weight of 369.45 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-methoxy-3-pyridinyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 91778642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).