6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyridine-2,3-diamine;6-(furan-2-yl)-5-pyrimidin-4-ylpyridine-2,3-diamine;6-pyridin-4-yl-5-thiophen-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one

C42H34N14O3S2 — CID 158661928

IUPAC6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyridine-2,3-diamine;6-(furan-2-yl)-5-pyrimidin-4-ylpyridine-2,3-diamine;6-pyridin-4-yl-5-thiophen-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESCSc1nccc(-c2cc(N)c(N)nc2-c2ccco2)n1.Nc1cc(-c2ccncn2)c(-c2ccco2)nc1N.O=c1[nH]c2cc(-c3ccncc3)c(-c3cccs3)nc2[nH]1
InChIInChI=1S/C15H10N4OS.C14H13N5OS.C13H11N5O/c20-15-17-11-8-10(9-3-5-16-6-4-9)13(18-14(11)19-15)12-2-1-7-21-12;1-21-14-17-5-4-10(18-14)8-7-9(15)13(16)19-12(8)11-3-2-6-20-11;14-9-6-8(10-3-4-16-7-17-10)12(18-13(9)15)11-2-1-5-19-11/h1-8H,(H2,17,18,19,20);2-7H,15H2,1H3,(H2,16,19);1-7H,14H2,(H2,15,18)
InChIKeyICWATKHSTWKMHL-UHFFFAOYSA-N
MW846.96 g/mol
LogP7.69
Rot. Bonds7

About 6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyridine-2,3-diamine;6-(furan-2-yl)-5-pyrimidin-4-ylpyridine-2,3-diamine;6-pyridin-4-yl-5-thiophen-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one

6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyridine-2,3-diamine;6-(furan-2-yl)-5-pyrimidin-4-ylpyridine-2,3-diamine;6-pyridin-4-yl-5-thiophen-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one (PubChem CID 158661928) has the molecular formula C42H34N14O3S2 and a molecular weight of 846.96 g/mol. Its IUPAC name is 6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyridine-2,3-diamine;6-(furan-2-yl)-5-pyrimidin-4-ylpyridine-2,3-diamine;6-pyridin-4-yl-5-thiophen-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyridine-2,3-diamine;6-(furan-2-yl)-5-pyrimidin-4-ylpyridine-2,3-diamine;6-pyridin-4-yl-5-thiophen-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
PubChem CID158661928
Molecular FormulaC42H34N14O3S2
Molecular Weight846.96 g/mol
Exact Mass846.24
IUPAC Name6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyridine-2,3-diamine;6-(furan-2-yl)-5-pyrimidin-4-ylpyridine-2,3-diamine;6-pyridin-4-yl-5-thiophen-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one
SMILESCSc1nccc(-c2cc(N)c(N)nc2-c2ccco2)n1.Nc1cc(-c2ccncn2)c(-c2ccco2)nc1N.O=c1[nH]c2cc(-c3ccncc3)c(-c3cccs3)nc2[nH]1
InChIInChI=1S/C15H10N4OS.C14H13N5OS.C13H11N5O/c20-15-17-11-8-10(9-3-5-16-6-4-9)13(18-14(11)19-15)12-2-1-7-21-12;1-21-14-17-5-4-10(18-14)8-7-9(15)13(16)19-12(8)11-3-2-6-20-11;14-9-6-8(10-3-4-16-7-17-10)12(18-13(9)15)11-2-1-5-19-11/h1-8H,(H2,17,18,19,20);2-7H,15H2,1H3,(H2,16,19);1-7H,14H2,(H2,15,18)
InChIKeyICWATKHSTWKMHL-UHFFFAOYSA-N
XLogP7.69
TPSA282.13 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds7
Heavy Atoms61
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500846.96
LogP ≤ 57.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Analyze 6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyridine-2,3-diamine;6-(furan-2-yl)-5-pyrimidin-4-ylpyridine-2,3-diamine;6-pyridin-4-yl-5-thiophen-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one with MolForge

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Related Compounds

5-(furan-2-yl)-2,2-dimethyl-N-(pyridin-2-ylmethyl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-amine
CID 2014935
N-[2-[5-(furan-2-yl)-2-pyridinyl]ethyl]-4-methyl-2-(oxan-4-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-(oxan-4-yl)-N-[2-(4-propoxycyclohexyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-piperidin-4-yl-N-[2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-piperidin-4-yl-N-(2,2,2-trifluoro-1-thiophen-2-ylethyl)imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-3-yl-N-[2,2,2-trifluoro-1-(4-propoxycyclohexyl)ethyl]imidazo[1,5-a]pyrimidine-8-carboxamide;4-methyl-2-pyridin-3-yl-N-(2,2,2-trifluoro-1-thiophen-2-ylethyl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 157655987
CID 157886959
CID 157886959
2-Amino-5-[2-fluoro-5-(furan-3-yl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-oxazol-4-yl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-thiazol-5-yl)phenyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-thiophen-3-ylphenyl)-3-methyl-5-[6-(trifluoromethyl)-2-pyridinyl]imidazol-4-one
CID 158760585
CID 158762345
CID 158762345
(5Z)-5-[[2-[[4-[[6-(furan-2-yl)-2-pyridinyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[6-(furan-3-yl)-2-pyridinyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[1-(6-thiophen-3-yl-2-pyridinyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;bis((5Z)-5-[[2-[[4-[(6-thiophen-2-yl-2-pyridinyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione);(5Z)-5-[[2-[[4-[(6-thiophen-3-yl-2-pyridinyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
CID 159037532
(5Z)-5-[[2-[4-[[(3-fluoro-6-thiophen-3-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-4-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(furan-2-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[methyl-[(6-thiophen-2-yl-2-pyridinyl)methyl]amino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(3-thiophen-2-ylphenyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-[5-(trifluoromethyl)thiophen-2-yl]-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 159171188
2,6-difluoro-N-[5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]pyrazin-2-yl]benzamide;2,6-difluoro-N-[5-(1-methyl-3-thiophen-2-ylpyrazol-5-yl)pyrazin-2-yl]benzamide;2,6-difluoro-N-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide;2-fluoro-N-[6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]benzamide
CID 159749631
(5Z)-5-[[2-[4-[[(3-fluoro-6-thiophen-3-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-4-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(furan-2-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[methyl-[(6-thiophen-2-yl-2-pyridinyl)methyl]amino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(3-thiophen-2-ylphenyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-[5-(trifluoromethyl)thiophen-2-yl]-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
CID 159955520
(5Z)-5-[[2-[4-[[[2-(furan-2-yl)-4-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[[2-(furan-3-yl)-4-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-(furan-2-yl)-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[methyl-[(6-thiophen-2-yl-2-pyridinyl)methyl]amino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(3-thiophen-2-ylphenyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-[2-[5-(trifluoromethyl)thiophen-2-yl]-3-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
CID 160003419
2-Amino-5-[3-(furan-3-yl)phenyl]-3-methyl-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(2-methylpyrimidin-5-yl)phenyl]-5-[6-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(1,3-oxazol-4-yl)phenyl]-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(1,3-oxazol-5-yl)phenyl]-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-[3-(1,3-thiazol-5-yl)phenyl]-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-3-methyl-5-(3-thiophen-3-ylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]imidazol-4-one
CID 161609887
(5Z)-5-[[2-[4-[[[3-fluoro-6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(2-fluoro-5-thiophen-3-ylphenyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[[(2-fluoro-6-thiophen-3-ylphenyl)methylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione;(5Z)-5-[[2-[4-[3-oxo-3-[6-(trifluoromethyl)-2-pyridinyl]propyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[4-[[1-(6-thiophen-3-yl-2-pyridinyl)ethylamino]methyl]piperidin-1-yl]pyrimidin-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 161873743

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyridine-2,3-diamine;6-(furan-2-yl)-5-pyrimidin-4-ylpyridine-2,3-diamine;6-pyridin-4-yl-5-thiophen-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyridine-2,3-diamine;6-(furan-2-yl)-5-pyrimidin-4-ylpyridine-2,3-diamine;6-pyridin-4-yl-5-thiophen-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one (CID 158661928) is 6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyridine-2,3-diamine;6-(furan-2-yl)-5-pyrimidin-4-ylpyridine-2,3-diamine;6-pyridin-4-yl-5-thiophen-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyridine-2,3-diamine;6-(furan-2-yl)-5-pyrimidin-4-ylpyridine-2,3-diamine;6-pyridin-4-yl-5-thiophen-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyridine-2,3-diamine;6-(furan-2-yl)-5-pyrimidin-4-ylpyridine-2,3-diamine;6-pyridin-4-yl-5-thiophen-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one is CSc1nccc(-c2cc(N)c(N)nc2-c2ccco2)n1.Nc1cc(-c2ccncn2)c(-c2ccco2)nc1N.O=c1[nH]c2cc(-c3ccncc3)c(-c3cccs3)nc2[nH]1.
What is the InChIKey of 6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyridine-2,3-diamine;6-(furan-2-yl)-5-pyrimidin-4-ylpyridine-2,3-diamine;6-pyridin-4-yl-5-thiophen-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
The InChIKey is ICWATKHSTWKMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4OS.C14H13N5OS.C13H11N5O/c20-15-17-11-8-10(9-3-5-16-6-4-9)13(18-14(11)19-15)12-2-1-7-21-12;1-21-14-17-5-4-10(18-14)8-7-9(15)13(16)19-12(8)11-3-2-6-20-11;14-9-6-8(10-3-4-16-7-17-10)12(18-13(9)15)11-2-1-5-19-11/h1-8H,(H2,17,18,19,20);2-7H,15H2,1H3,(H2,16,19);1-7H,14H2,(H2,15,18).
What are the key properties of 6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyridine-2,3-diamine;6-(furan-2-yl)-5-pyrimidin-4-ylpyridine-2,3-diamine;6-pyridin-4-yl-5-thiophen-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one?
6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyridine-2,3-diamine;6-(furan-2-yl)-5-pyrimidin-4-ylpyridine-2,3-diamine;6-pyridin-4-yl-5-thiophen-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one has a molecular weight of 846.96 g/mol, XLogP of 7.69, 7 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-5-(2-methylsulfanylpyrimidin-4-yl)pyridine-2,3-diamine;6-(furan-2-yl)-5-pyrimidin-4-ylpyridine-2,3-diamine;6-pyridin-4-yl-5-thiophen-2-yl-1,3-dihydroimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 158661928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).