1-methyl-7-[(6-methyl-2-pyridinyl)methoxymethyl]-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C16H22N4O3S — CID 134073750

IUPAC1-methyl-7-[(6-methyl-2-pyridinyl)methoxymethyl]-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCc1cccc(COCC2CN(S(C)(=O)=O)Cc3ncn(C)c32)n1
InChIInChI=1S/C16H22N4O3S/c1-12-5-4-6-14(18-12)10-23-9-13-7-20(24(3,21)22)8-15-16(13)19(2)11-17-15/h4-6,11,13H,7-10H2,1-3H3
InChIKeyLKXGXLFFOKFILG-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.20
Rot. Bonds5

About 1-methyl-7-[(6-methyl-2-pyridinyl)methoxymethyl]-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

1-methyl-7-[(6-methyl-2-pyridinyl)methoxymethyl]-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 134073750) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 1-methyl-7-[(6-methyl-2-pyridinyl)methoxymethyl]-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-methyl-7-[(6-methyl-2-pyridinyl)methoxymethyl]-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID134073750
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name1-methyl-7-[(6-methyl-2-pyridinyl)methoxymethyl]-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCc1cccc(COCC2CN(S(C)(=O)=O)Cc3ncn(C)c32)n1
InChIInChI=1S/C16H22N4O3S/c1-12-5-4-6-14(18-12)10-23-9-13-7-20(24(3,21)22)8-15-16(13)19(2)11-17-15/h4-6,11,13H,7-10H2,1-3H3
InChIKeyLKXGXLFFOKFILG-UHFFFAOYSA-N
XLogP1.20
TPSA77.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-[(6-methyl-2-pyridinyl)methoxymethyl]-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 1-methyl-7-[(6-methyl-2-pyridinyl)methoxymethyl]-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 134073750) is 1-methyl-7-[(6-methyl-2-pyridinyl)methoxymethyl]-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 1-methyl-7-[(6-methyl-2-pyridinyl)methoxymethyl]-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 1-methyl-7-[(6-methyl-2-pyridinyl)methoxymethyl]-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is Cc1cccc(COCC2CN(S(C)(=O)=O)Cc3ncn(C)c32)n1.
What is the InChIKey of 1-methyl-7-[(6-methyl-2-pyridinyl)methoxymethyl]-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is LKXGXLFFOKFILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-12-5-4-6-14(18-12)10-23-9-13-7-20(24(3,21)22)8-15-16(13)19(2)11-17-15/h4-6,11,13H,7-10H2,1-3H3.
What are the key properties of 1-methyl-7-[(6-methyl-2-pyridinyl)methoxymethyl]-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
1-methyl-7-[(6-methyl-2-pyridinyl)methoxymethyl]-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 350.44 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-[(6-methyl-2-pyridinyl)methoxymethyl]-5-methylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 134073750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).