4-[[1-methyl-4-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepan-6-yl]methyl]-1,5-naphthyridine

C19H24N6O2S — CID 155985673

IUPAC4-[[1-methyl-4-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepan-6-yl]methyl]-1,5-naphthyridine
SMILESCN1CCN(S(=O)(=O)c2cn(C)cn2)CC(Cc2ccnc3cccnc23)C1
InChIInChI=1S/C19H24N6O2S/c1-23-8-9-25(28(26,27)18-13-24(2)14-22-18)12-15(11-23)10-16-5-7-20-17-4-3-6-21-19(16)17/h3-7,13-15H,8-12H2,1-2H3
InChIKeyHQCOFWITKKTZPN-UHFFFAOYSA-N
MW400.51 g/mol
LogP1.16
Rot. Bonds4

About 4-[[1-methyl-4-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepan-6-yl]methyl]-1,5-naphthyridine

4-[[1-methyl-4-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepan-6-yl]methyl]-1,5-naphthyridine (PubChem CID 155985673) has the molecular formula C19H24N6O2S and a molecular weight of 400.51 g/mol. Its IUPAC name is 4-[[1-methyl-4-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepan-6-yl]methyl]-1,5-naphthyridine.

Molecular Properties

Compound Name4-[[1-methyl-4-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepan-6-yl]methyl]-1,5-naphthyridine
PubChem CID155985673
Molecular FormulaC19H24N6O2S
Molecular Weight400.51 g/mol
Exact Mass400.17
IUPAC Name4-[[1-methyl-4-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepan-6-yl]methyl]-1,5-naphthyridine
SMILESCN1CCN(S(=O)(=O)c2cn(C)cn2)CC(Cc2ccnc3cccnc23)C1
InChIInChI=1S/C19H24N6O2S/c1-23-8-9-25(28(26,27)18-13-24(2)14-22-18)12-15(11-23)10-16-5-7-20-17-4-3-6-21-19(16)17/h3-7,13-15H,8-12H2,1-2H3
InChIKeyHQCOFWITKKTZPN-UHFFFAOYSA-N
XLogP1.16
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.51
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[[1-methyl-4-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepan-6-yl]methyl]-1,5-naphthyridine with MolForge

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Related Compounds

8-[[(3R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methyl]quinoline
CID 124951511
4-[[(6R)-1-cyclohexyl-4-methyl-1,4-diazepan-6-yl]methyl]-1,5-naphthyridine
CID 124941832
2-cyclopentyl-1-[(6R)-4-methyl-6-(1,5-naphthyridin-4-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 124983695
[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanamine
CID 62374632
2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]acetic acid
CID 62689062
(9aR)-8-methyl-2-(1-methylimidazol-4-yl)sulfonyl-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 124812375
2-[1-(1-methylimidazol-4-yl)sulfonylazetidin-3-yl]oxy-3-(trifluoromethyl)pyridine
CID 122251194
1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-ol
CID 62916956
(3R)-3-[2-(2,6-difluorophenyl)ethyl]-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 95708374
(3S)-3-[2-(2,6-difluorophenyl)ethyl]-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 95708373
3-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-5-pyridin-3-yl-1,2,4-oxadiazole
CID 91907991
2-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 20958646

Frequently Asked Questions

What is the IUPAC name of 4-[[1-methyl-4-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepan-6-yl]methyl]-1,5-naphthyridine?
The IUPAC name of 4-[[1-methyl-4-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepan-6-yl]methyl]-1,5-naphthyridine (CID 155985673) is 4-[[1-methyl-4-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepan-6-yl]methyl]-1,5-naphthyridine.
What is the SMILES notation for 4-[[1-methyl-4-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepan-6-yl]methyl]-1,5-naphthyridine?
The canonical SMILES for 4-[[1-methyl-4-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepan-6-yl]methyl]-1,5-naphthyridine is CN1CCN(S(=O)(=O)c2cn(C)cn2)CC(Cc2ccnc3cccnc23)C1.
What is the InChIKey of 4-[[1-methyl-4-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepan-6-yl]methyl]-1,5-naphthyridine?
The InChIKey is HQCOFWITKKTZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2S/c1-23-8-9-25(28(26,27)18-13-24(2)14-22-18)12-15(11-23)10-16-5-7-20-17-4-3-6-21-19(16)17/h3-7,13-15H,8-12H2,1-2H3.
What are the key properties of 4-[[1-methyl-4-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepan-6-yl]methyl]-1,5-naphthyridine?
4-[[1-methyl-4-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepan-6-yl]methyl]-1,5-naphthyridine has a molecular weight of 400.51 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-methyl-4-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepan-6-yl]methyl]-1,5-naphthyridine is sourced from PubChem (CID 155985673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).