6-(methoxymethyl)-1-methyl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C14H18N4O3S — CID 131695597

IUPAC6-(methoxymethyl)-1-methyl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCOCC1Cc2c(ncn2C)CN1S(=O)(=O)c1cccnc1
InChIInChI=1S/C14H18N4O3S/c1-17-10-16-13-8-18(11(9-21-2)6-14(13)17)22(19,20)12-4-3-5-15-7-12/h3-5,7,10-11H,6,8-9H2,1-2H3
InChIKeyRAFKSUQABQATGF-UHFFFAOYSA-N
MW322.39 g/mol
LogP0.58
Rot. Bonds4

About 6-(methoxymethyl)-1-methyl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

6-(methoxymethyl)-1-methyl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 131695597) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 6-(methoxymethyl)-1-methyl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6-(methoxymethyl)-1-methyl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID131695597
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name6-(methoxymethyl)-1-methyl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCOCC1Cc2c(ncn2C)CN1S(=O)(=O)c1cccnc1
InChIInChI=1S/C14H18N4O3S/c1-17-10-16-13-8-18(11(9-21-2)6-14(13)17)22(19,20)12-4-3-5-15-7-12/h3-5,7,10-11H,6,8-9H2,1-2H3
InChIKeyRAFKSUQABQATGF-UHFFFAOYSA-N
XLogP0.58
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-(methoxymethyl)-1-methyl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine with MolForge

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Related Compounds

3-(methoxymethyl)-2-methyl-8-pyridin-3-ylsulfonyl-2,8-diazaspiro[4.5]decane
CID 131648490
(8S)-3-(methoxymethyl)-8-methyl-7-pyridin-3-ylsulfonyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97421796
9-(2-methoxyethyl)-6-(5-pyridin-3-ylsulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)purine
CID 155799535
(7R)-7-(methoxymethyl)-1-methyl-5-(pyridin-3-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 97382834
methyl 1-pyridin-3-ylsulfonylpiperidine-2-carboxylate
CID 49454499
(2S,4R)-1-(benzenesulfonyl)-4-methoxy-2-(methoxymethyl)pyrrolidine
CID 128975294
N-[4-[2-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 25212282
(3S,3aS,9bR)-8-fluoro-3-(methoxymethyl)-1-pyridin-3-ylsulfonyl-3,3a,4,9b-tetrahydro-2H-chromeno[4,3-b]pyrrole
CID 146120729
1-(1-pyridin-3-ylsulfonylpiperidin-2-yl)propan-2-ol
CID 79538362
5-oxo-1-pyridin-3-ylsulfonylpiperazine-2-carboxylic acid
CID 107435224
3-[3-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]sulfonylpyridine
CID 70716561
ethyl pyridine-3-sulfonate
CID 156789856

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-1-methyl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 6-(methoxymethyl)-1-methyl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 131695597) is 6-(methoxymethyl)-1-methyl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 6-(methoxymethyl)-1-methyl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 6-(methoxymethyl)-1-methyl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is COCC1Cc2c(ncn2C)CN1S(=O)(=O)c1cccnc1.
What is the InChIKey of 6-(methoxymethyl)-1-methyl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is RAFKSUQABQATGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-17-10-16-13-8-18(11(9-21-2)6-14(13)17)22(19,20)12-4-3-5-15-7-12/h3-5,7,10-11H,6,8-9H2,1-2H3.
What are the key properties of 6-(methoxymethyl)-1-methyl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
6-(methoxymethyl)-1-methyl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 322.39 g/mol, XLogP of 0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-1-methyl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 131695597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).