difluoromethane;8-ethylsulfonyl-7-(6-fluoro-3-methylimidazo[4,5-b]pyridin-2-yl)-1,6-naphthyridine;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline

C37H31F6N9O4S2 — CID 145301721

IUPACdifluoromethane;8-ethylsulfonyl-7-(6-fluoro-3-methylimidazo[4,5-b]pyridin-2-yl)-1,6-naphthyridine;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)ncc2ccccc12.CCS(=O)(=O)c1c(-c2nc3cc(F)cnc3n2C)ncc2cccnc12.FCF
InChIInChI=1S/C19H15F3N4O2S.C17H14FN5O2S.CH2F2/c1-3-29(27,28)17-12-7-5-4-6-11(12)9-24-16(17)18-25-13-8-15(19(20,21)22)23-10-14(13)26(18)2;1-3-26(24,25)15-13-10(5-4-6-19-13)8-20-14(15)17-22-12-7-11(18)9-21-16(12)23(17)2;2-1-3/h4-10H,3H2,1-2H3;4-9H,3H2,1-2H3;1H2
InChIKeyAUNXTOQXPRBMDP-UHFFFAOYSA-N
MW843.84 g/mol
LogP7.39
Rot. Bonds6

About difluoromethane;8-ethylsulfonyl-7-(6-fluoro-3-methylimidazo[4,5-b]pyridin-2-yl)-1,6-naphthyridine;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline

difluoromethane;8-ethylsulfonyl-7-(6-fluoro-3-methylimidazo[4,5-b]pyridin-2-yl)-1,6-naphthyridine;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline (PubChem CID 145301721) has the molecular formula C37H31F6N9O4S2 and a molecular weight of 843.84 g/mol. Its IUPAC name is difluoromethane;8-ethylsulfonyl-7-(6-fluoro-3-methylimidazo[4,5-b]pyridin-2-yl)-1,6-naphthyridine;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline.

Molecular Properties

Compound Namedifluoromethane;8-ethylsulfonyl-7-(6-fluoro-3-methylimidazo[4,5-b]pyridin-2-yl)-1,6-naphthyridine;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline
PubChem CID145301721
Molecular FormulaC37H31F6N9O4S2
Molecular Weight843.84 g/mol
Exact Mass843.18
IUPAC Namedifluoromethane;8-ethylsulfonyl-7-(6-fluoro-3-methylimidazo[4,5-b]pyridin-2-yl)-1,6-naphthyridine;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)ncc2ccccc12.CCS(=O)(=O)c1c(-c2nc3cc(F)cnc3n2C)ncc2cccnc12.FCF
InChIInChI=1S/C19H15F3N4O2S.C17H14FN5O2S.CH2F2/c1-3-29(27,28)17-12-7-5-4-6-11(12)9-24-16(17)18-25-13-8-15(19(20,21)22)23-10-14(13)26(18)2;1-3-26(24,25)15-13-10(5-4-6-19-13)8-20-14(15)17-22-12-7-11(18)9-21-16(12)23(17)2;2-1-3/h4-10H,3H2,1-2H3;4-9H,3H2,1-2H3;1H2
InChIKeyAUNXTOQXPRBMDP-UHFFFAOYSA-N
XLogP7.39
TPSA168.37 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500843.84
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze difluoromethane;8-ethylsulfonyl-7-(6-fluoro-3-methylimidazo[4,5-b]pyridin-2-yl)-1,6-naphthyridine;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline with MolForge

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Related Compounds

N-[5-[4-(dimethylamino)piperidin-1-yl]-2-pyridinyl]-8-(1,1-dioxothian-4-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 44133065
8-cyclopentyl-N-[5-(1,1-dioxo-3,6-dihydro-2H-thiopyran-4-yl)-2-pyridinyl]-10-fluoro-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 58299736
8-(4-methylcyclohexyl)-N-[6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-yl]-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
CID 66549073
Bis(3-methyl-4,5-dipropylimidazo[1,2-a][1,6]naphthyridin-3-ium);bis(trifluoromethanesulfonate)
CID 139112600
Bis(3-butyl-4,5-diphenylimidazo[1,2-a][1,6]naphthyridin-3-ium);bis(trifluoromethanesulfonate)
CID 139112601
4-[6-[4-[2-(3,4-Difluorophenyl)ethyl]piperazin-1-yl]-8-methyl-3,5,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-13-yl]thiomorpholine
CID 11420831
9-(3-fluorophenyl)-2-N-(5-methyl-2-pyridinyl)-6-N-[4-(2-pyridin-2-ylethylsulfonyl)phenyl]purine-2,6-diamine
CID 25024757
7-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,5-difluorophenyl]-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 57820329
7-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-3,5-difluorophenyl]-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolo[2,3-d]pyrimidin-2-amine
CID 57820397
1-[[5-[1-(5-Ethylpyrimidin-2-yl)piperidin-4-yl]-3-fluoro-2-pyridinyl]methyl]-5-methylsulfonylpyrrolo[2,3-b]pyridine
CID 60196609
1-[[3-Fluoro-5-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyridin-2-yl]methyl]-5-methylsulfonylpyrrolo[2,3-b]pyridine
CID 60196711
2-[1-[(3-fluorophenyl)methyl]-2-methyl-3-methylsulfonylpyrrolo[2,3-c]pyridin-7-yl]-3,4-dihydro-1H-isoquinoline
CID 67141483

Frequently Asked Questions

What is the IUPAC name of difluoromethane;8-ethylsulfonyl-7-(6-fluoro-3-methylimidazo[4,5-b]pyridin-2-yl)-1,6-naphthyridine;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline?
The IUPAC name of difluoromethane;8-ethylsulfonyl-7-(6-fluoro-3-methylimidazo[4,5-b]pyridin-2-yl)-1,6-naphthyridine;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline (CID 145301721) is difluoromethane;8-ethylsulfonyl-7-(6-fluoro-3-methylimidazo[4,5-b]pyridin-2-yl)-1,6-naphthyridine;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline.
What is the SMILES notation for difluoromethane;8-ethylsulfonyl-7-(6-fluoro-3-methylimidazo[4,5-b]pyridin-2-yl)-1,6-naphthyridine;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline?
The canonical SMILES for difluoromethane;8-ethylsulfonyl-7-(6-fluoro-3-methylimidazo[4,5-b]pyridin-2-yl)-1,6-naphthyridine;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline is CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)ncc2ccccc12.CCS(=O)(=O)c1c(-c2nc3cc(F)cnc3n2C)ncc2cccnc12.FCF.
What is the InChIKey of difluoromethane;8-ethylsulfonyl-7-(6-fluoro-3-methylimidazo[4,5-b]pyridin-2-yl)-1,6-naphthyridine;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline?
The InChIKey is AUNXTOQXPRBMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N4O2S.C17H14FN5O2S.CH2F2/c1-3-29(27,28)17-12-7-5-4-6-11(12)9-24-16(17)18-25-13-8-15(19(20,21)22)23-10-14(13)26(18)2;1-3-26(24,25)15-13-10(5-4-6-19-13)8-20-14(15)17-22-12-7-11(18)9-21-16(12)23(17)2;2-1-3/h4-10H,3H2,1-2H3;4-9H,3H2,1-2H3;1H2.
What are the key properties of difluoromethane;8-ethylsulfonyl-7-(6-fluoro-3-methylimidazo[4,5-b]pyridin-2-yl)-1,6-naphthyridine;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline?
difluoromethane;8-ethylsulfonyl-7-(6-fluoro-3-methylimidazo[4,5-b]pyridin-2-yl)-1,6-naphthyridine;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline has a molecular weight of 843.84 g/mol, XLogP of 7.39, 6 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethane;8-ethylsulfonyl-7-(6-fluoro-3-methylimidazo[4,5-b]pyridin-2-yl)-1,6-naphthyridine;4-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]isoquinoline is sourced from PubChem (CID 145301721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).