4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine;4-(3-fluorophenyl)-2-(5-pyridin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine;4-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine;1-[5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone

C95H71F2N27O4S2 — CID 157187299

IUPAC4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine;4-(3-fluorophenyl)-2-(5-pyridin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine;4-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine;1-[5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cccnc6)cc45)nc23)s1.CS(=O)(=O)CCc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncnc6)cc45)nc23)c1.Cn1cc(-c2ccc3[nH]nc(-c4nc5c(N6CCOCC6)nccc5[nH]4)c3c2)cn1.Fc1cccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6ccccn6)cc45)nc23)c1
InChIInChI=1S/C26H20FN7O2S.C24H15FN6.C24H16N6OS.C21H20N8O/c1-37(35,36)7-5-15-8-17(10-19(27)9-15)23-25-22(4-6-30-23)31-26(32-25)24-20-11-16(2-3-21(20)33-34-24)18-12-28-14-29-13-18;25-16-5-3-4-15(12-16)21-23-20(9-11-27-21)28-24(29-23)22-17-13-14(7-8-19(17)30-31-22)18-6-1-2-10-26-18;1-13(31)19-6-7-20(32-19)23-22-18(8-10-26-23)27-24(28-22)21-16-11-14(4-5-17(16)29-30-21)15-3-2-9-25-12-15;1-28-12-14(11-23-28)13-2-3-16-15(10-13)18(27-26-16)20-24-17-4-5-22-21(19(17)25-20)29-6-8-30-9-7-29/h2-4,6,8-14H,5,7H2,1H3,(H,31,32)(H,33,34);1-13H,(H,28,29)(H,30,31);2-12H,1H3,(H,27,28)(H,29,30);2-5,10-12H,6-9H2,1H3,(H,24,25)(H,26,27)
InChIKeyAPGRBPUFRVFUKJ-UHFFFAOYSA-N
MW1756.93 g/mol
LogP17.95
Rot. Bonds16

About 4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine;4-(3-fluorophenyl)-2-(5-pyridin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine;4-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine;1-[5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone

4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine;4-(3-fluorophenyl)-2-(5-pyridin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine;4-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine;1-[5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone (PubChem CID 157187299) has the molecular formula C95H71F2N27O4S2 and a molecular weight of 1756.93 g/mol. Its IUPAC name is 4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine;4-(3-fluorophenyl)-2-(5-pyridin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine;4-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine;1-[5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine;4-(3-fluorophenyl)-2-(5-pyridin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine;4-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine;1-[5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone
PubChem CID157187299
Molecular FormulaC95H71F2N27O4S2
Molecular Weight1756.93 g/mol
Exact Mass1755.56
IUPAC Name4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine;4-(3-fluorophenyl)-2-(5-pyridin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine;4-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine;1-[5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cccnc6)cc45)nc23)s1.CS(=O)(=O)CCc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncnc6)cc45)nc23)c1.Cn1cc(-c2ccc3[nH]nc(-c4nc5c(N6CCOCC6)nccc5[nH]4)c3c2)cn1.Fc1cccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6ccccn6)cc45)nc23)c1
InChIInChI=1S/C26H20FN7O2S.C24H15FN6.C24H16N6OS.C21H20N8O/c1-37(35,36)7-5-15-8-17(10-19(27)9-15)23-25-22(4-6-30-23)31-26(32-25)24-20-11-16(2-3-21(20)33-34-24)18-12-28-14-29-13-18;25-16-5-3-4-15(12-16)21-23-20(9-11-27-21)28-24(29-23)22-17-13-14(7-8-19(17)30-31-22)18-6-1-2-10-26-18;1-13(31)19-6-7-20(32-19)23-22-18(8-10-26-23)27-24(28-22)21-16-11-14(4-5-17(16)29-30-21)15-3-2-9-25-12-15;1-28-12-14(11-23-28)13-2-3-16-15(10-13)18(27-26-16)20-24-17-4-5-22-21(19(17)25-20)29-6-8-30-9-7-29/h2-4,6,8-14H,5,7H2,1H3,(H,31,32)(H,33,34);1-13H,(H,28,29)(H,30,31);2-12H,1H3,(H,27,28)(H,29,30);2-5,10-12H,6-9H2,1H3,(H,24,25)(H,26,27)
InChIKeyAPGRBPUFRVFUKJ-UHFFFAOYSA-N
XLogP17.95
TPSA414.06 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001756.93
LogP ≤ 517.95
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze 4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine;4-(3-fluorophenyl)-2-(5-pyridin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine;4-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine;1-[5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone with MolForge

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Related Compounds

1-[5-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone
CID 136273117
1-[5-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 136935491
1-[5-[2-[7-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 136935888
1-[5-[2-[7-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 136935889
1-[5-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-7-fluoro-2H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 136935899
1-[5-[2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 136936303
1-[5-[2-[6-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 136936307
1-[5-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-6-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 136936314
1-[5-[2-[4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 136936715
1-[5-[2-[4-fluoro-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 136936716
1-[5-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-4-fluoro-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 136936726
N-[5-[7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[5,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-3-yl]-3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-b]pyridin-7-ium-5-yl]-3-pyridinyl]benzamide
CID 137029757

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine;4-(3-fluorophenyl)-2-(5-pyridin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine;4-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine;1-[5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone?
The IUPAC name of 4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine;4-(3-fluorophenyl)-2-(5-pyridin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine;4-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine;1-[5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone (CID 157187299) is 4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine;4-(3-fluorophenyl)-2-(5-pyridin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine;4-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine;1-[5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone.
What is the SMILES notation for 4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine;4-(3-fluorophenyl)-2-(5-pyridin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine;4-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine;1-[5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone?
The canonical SMILES for 4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine;4-(3-fluorophenyl)-2-(5-pyridin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine;4-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine;1-[5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone is CC(=O)c1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cccnc6)cc45)nc23)s1.CS(=O)(=O)CCc1cc(F)cc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncnc6)cc45)nc23)c1.Cn1cc(-c2ccc3[nH]nc(-c4nc5c(N6CCOCC6)nccc5[nH]4)c3c2)cn1.Fc1cccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6ccccn6)cc45)nc23)c1.
What is the InChIKey of 4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine;4-(3-fluorophenyl)-2-(5-pyridin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine;4-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine;1-[5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone?
The InChIKey is APGRBPUFRVFUKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN7O2S.C24H15FN6.C24H16N6OS.C21H20N8O/c1-37(35,36)7-5-15-8-17(10-19(27)9-15)23-25-22(4-6-30-23)31-26(32-25)24-20-11-16(2-3-21(20)33-34-24)18-12-28-14-29-13-18;25-16-5-3-4-15(12-16)21-23-20(9-11-27-21)28-24(29-23)22-17-13-14(7-8-19(17)30-31-22)18-6-1-2-10-26-18;1-13(31)19-6-7-20(32-19)23-22-18(8-10-26-23)27-24(28-22)21-16-11-14(4-5-17(16)29-30-21)15-3-2-9-25-12-15;1-28-12-14(11-23-28)13-2-3-16-15(10-13)18(27-26-16)20-24-17-4-5-22-21(19(17)25-20)29-6-8-30-9-7-29/h2-4,6,8-14H,5,7H2,1H3,(H,31,32)(H,33,34);1-13H,(H,28,29)(H,30,31);2-12H,1H3,(H,27,28)(H,29,30);2-5,10-12H,6-9H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine;4-(3-fluorophenyl)-2-(5-pyridin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine;4-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine;1-[5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone?
4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine;4-(3-fluorophenyl)-2-(5-pyridin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine;4-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine;1-[5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone has a molecular weight of 1756.93 g/mol, XLogP of 17.95, 16 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-5-(2-methylsulfonylethyl)phenyl]-2-(5-pyrimidin-5-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine;4-(3-fluorophenyl)-2-(5-pyridin-2-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridine;4-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine;1-[5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone is sourced from PubChem (CID 157187299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).