1-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]-3-methylurea

C17H20N6O3S — CID 158261625

IUPAC1-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]-3-methylurea
SMILESCCS(=O)(=O)c1ccc(NC(=O)NC)nc1-c1nc2cc(C)ncc2n1C
InChIInChI=1S/C17H20N6O3S/c1-5-27(25,26)13-6-7-14(22-17(24)18-3)21-15(13)16-20-11-8-10(2)19-9-12(11)23(16)4/h6-9H,5H2,1-4H3,(H2,18,21,22,24)
InChIKeyGHXZNIBXGDNZDW-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.88
Rot. Bonds4

About 1-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]-3-methylurea

1-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]-3-methylurea (PubChem CID 158261625) has the molecular formula C17H20N6O3S and a molecular weight of 388.45 g/mol. Its IUPAC name is 1-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]-3-methylurea.

Molecular Properties

Compound Name1-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]-3-methylurea
PubChem CID158261625
Molecular FormulaC17H20N6O3S
Molecular Weight388.45 g/mol
Exact Mass388.13
IUPAC Name1-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]-3-methylurea
SMILESCCS(=O)(=O)c1ccc(NC(=O)NC)nc1-c1nc2cc(C)ncc2n1C
InChIInChI=1S/C17H20N6O3S/c1-5-27(25,26)13-6-7-14(22-17(24)18-3)21-15(13)16-20-11-8-10(2)19-9-12(11)23(16)4/h6-9H,5H2,1-4H3,(H2,18,21,22,24)
InChIKeyGHXZNIBXGDNZDW-UHFFFAOYSA-N
XLogP1.88
TPSA118.87 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]-3-methylurea with MolForge

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Related Compounds

CID 16747683
CID 16747683
CID 5288527
CID 5288527
CID 6539011
CID 6539011
CID 6539024
CID 6539024
CID 6539025
CID 6539025
CID 6539026
CID 6539026
CID 6539027
CID 6539027
CID 6539028
CID 6539028
CID 90183696
CID 90183696
CID 91971390
CID 91971390
CID 91971392
CID 91971392
CID 66611076
CID 66611076

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]-3-methylurea?
The IUPAC name of 1-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]-3-methylurea (CID 158261625) is 1-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]-3-methylurea.
What is the SMILES notation for 1-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]-3-methylurea?
The canonical SMILES for 1-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]-3-methylurea is CCS(=O)(=O)c1ccc(NC(=O)NC)nc1-c1nc2cc(C)ncc2n1C.
What is the InChIKey of 1-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]-3-methylurea?
The InChIKey is GHXZNIBXGDNZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3S/c1-5-27(25,26)13-6-7-14(22-17(24)18-3)21-15(13)16-20-11-8-10(2)19-9-12(11)23(16)4/h6-9H,5H2,1-4H3,(H2,18,21,22,24).
What are the key properties of 1-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]-3-methylurea?
1-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]-3-methylurea has a molecular weight of 388.45 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,6-dimethylimidazo[4,5-c]pyridin-2-yl)-5-ethylsulfonyl-2-pyridinyl]-3-methylurea is sourced from PubChem (CID 158261625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).