5-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-ethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-propan-2-yloxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propan-2-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1,3-benzothiazole;N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinolin-6-amine

C171H156F3N25O3S — CID 159052142

IUPAC5-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-ethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-propan-2-yloxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propan-2-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1,3-benzothiazole;N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinolin-6-amine
SMILESCC(C)Oc1cccc(Cc2cnc3[nH]ccc3c2)c1.CC(C)c1ccc(Cc2cnc3[nH]ccc3c2)cc1.CCCc1ccc(Cc2cnc3[nH]ccc3c2)cc1.CCOc1cccc(Cc2cnc3[nH]ccc3c2)c1.COc1cccc(Cc2cnc3[nH]ccc3c2)c1.Cc1ccc(Cc2cnc3[nH]ccc3c2)cc1.Cc1cccc(Cc2cnc3[nH]ccc3c2)c1.Fc1ccc(Cc2cnc3[nH]ccc3c2)cc1F.Fc1cccc(Cc2cnc3[nH]ccc3c2)c1.c1cc2cc(Cc3ccc4ncsc4c3)cnc2[nH]1.c1cnc2ccc(Nc3cnc4[nH]ccc4c3)cc2c1
InChIInChI=1S/C17H18N2O.2C17H18N2.C16H12N4.C16H16N2O.C15H11N3S.C15H14N2O.2C15H14N2.C14H10F2N2.C14H11FN2/c1-12(2)20-16-5-3-4-13(10-16)8-14-9-15-6-7-18-17(15)19-11-14;1-12(2)15-5-3-13(4-6-15)9-14-10-16-7-8-18-17(16)19-11-14;1-2-3-13-4-6-14(7-5-13)10-15-11-16-8-9-18-17(16)19-12-15;1-2-11-8-13(3-4-15(11)17-6-1)20-14-9-12-5-7-18-16(12)19-10-14;1-2-19-15-5-3-4-12(10-15)8-13-9-14-6-7-17-16(14)18-11-13;1-2-13-14(19-9-18-13)7-10(1)5-11-6-12-3-4-16-15(12)17-8-11;1-18-14-4-2-3-11(9-14)7-12-8-13-5-6-16-15(13)17-10-12;1-11-2-4-12(5-3-11)8-13-9-14-6-7-16-15(14)17-10-13;1-11-3-2-4-12(7-11)8-13-9-14-5-6-16-15(14)17-10-13;15-12-2-1-9(7-13(12)16)5-10-6-11-3-4-17-14(11)18-8-10;15-13-3-1-2-10(8-13)6-11-7-12-4-5-16-14(12)17-9-11/h3-7,9-12H,8H2,1-2H3,(H,18,19);3-8,10-12H,9H2,1-2H3,(H,18,19);4-9,11-12H,2-3,10H2,1H3,(H,18,19);1-10,20H,(H,18,19);3-7,9-11H,2,8H2,1H3,(H,17,18);1-4,6-9H,5H2,(H,16,17);2-6,8-10H,7H2,1H3,(H,16,17);2*2-7,9-10H,8H2,1H3,(H,16,17);1-4,6-8H,5H2,(H,17,18);1-5,7-9H,6H2,(H,16,17)
InChIKeyJXJXKOLDIZPTKC-UHFFFAOYSA-N
MW2698.36 g/mol
LogP40.31
Rot. Bonds30

About 5-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-ethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-propan-2-yloxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propan-2-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1,3-benzothiazole;N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinolin-6-amine

5-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-ethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-propan-2-yloxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propan-2-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1,3-benzothiazole;N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinolin-6-amine (PubChem CID 159052142) has the molecular formula C171H156F3N25O3S and a molecular weight of 2698.36 g/mol. Its IUPAC name is 5-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-ethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-propan-2-yloxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propan-2-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1,3-benzothiazole;N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinolin-6-amine.

Molecular Properties

Compound Name5-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-ethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-propan-2-yloxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propan-2-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1,3-benzothiazole;N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinolin-6-amine
PubChem CID159052142
Molecular FormulaC171H156F3N25O3S
Molecular Weight2698.36 g/mol
Exact Mass2696.25
IUPAC Name5-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-ethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-propan-2-yloxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propan-2-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1,3-benzothiazole;N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinolin-6-amine
SMILESCC(C)Oc1cccc(Cc2cnc3[nH]ccc3c2)c1.CC(C)c1ccc(Cc2cnc3[nH]ccc3c2)cc1.CCCc1ccc(Cc2cnc3[nH]ccc3c2)cc1.CCOc1cccc(Cc2cnc3[nH]ccc3c2)c1.COc1cccc(Cc2cnc3[nH]ccc3c2)c1.Cc1ccc(Cc2cnc3[nH]ccc3c2)cc1.Cc1cccc(Cc2cnc3[nH]ccc3c2)c1.Fc1ccc(Cc2cnc3[nH]ccc3c2)cc1F.Fc1cccc(Cc2cnc3[nH]ccc3c2)c1.c1cc2cc(Cc3ccc4ncsc4c3)cnc2[nH]1.c1cnc2ccc(Nc3cnc4[nH]ccc4c3)cc2c1
InChIInChI=1S/C17H18N2O.2C17H18N2.C16H12N4.C16H16N2O.C15H11N3S.C15H14N2O.2C15H14N2.C14H10F2N2.C14H11FN2/c1-12(2)20-16-5-3-4-13(10-16)8-14-9-15-6-7-18-17(15)19-11-14;1-12(2)15-5-3-13(4-6-15)9-14-10-16-7-8-18-17(16)19-11-14;1-2-3-13-4-6-14(7-5-13)10-15-11-16-8-9-18-17(16)19-12-15;1-2-11-8-13(3-4-15(11)17-6-1)20-14-9-12-5-7-18-16(12)19-10-14;1-2-19-15-5-3-4-12(10-15)8-13-9-14-6-7-17-16(14)18-11-13;1-2-13-14(19-9-18-13)7-10(1)5-11-6-12-3-4-16-15(12)17-8-11;1-18-14-4-2-3-11(9-14)7-12-8-13-5-6-16-15(13)17-10-12;1-11-2-4-12(5-3-11)8-13-9-14-6-7-16-15(14)17-10-13;1-11-3-2-4-12(7-11)8-13-9-14-5-6-16-15(14)17-10-13;15-12-2-1-9(7-13(12)16)5-10-6-11-3-4-17-14(11)18-8-10;15-13-3-1-2-10(8-13)6-11-7-12-4-5-16-14(12)17-9-11/h3-7,9-12H,8H2,1-2H3,(H,18,19);3-8,10-12H,9H2,1-2H3,(H,18,19);4-9,11-12H,2-3,10H2,1H3,(H,18,19);1-10,20H,(H,18,19);3-7,9-11H,2,8H2,1H3,(H,17,18);1-4,6-9H,5H2,(H,16,17);2-6,8-10H,7H2,1H3,(H,16,17);2*2-7,9-10H,8H2,1H3,(H,16,17);1-4,6-8H,5H2,(H,17,18);1-5,7-9H,6H2,(H,16,17)
InChIKeyJXJXKOLDIZPTKC-UHFFFAOYSA-N
XLogP40.31
TPSA380.98 Ų
H-Bond Donors12
H-Bond Acceptors18
Rotatable Bonds30
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002698.36
LogP ≤ 540.31
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1018

Analyze 5-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-ethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-propan-2-yloxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propan-2-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1,3-benzothiazole;N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinolin-6-amine with MolForge

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Related Compounds

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6-(2-cyclopropyl-1,3-thiazol-5-yl)-1-fluoro-10-[2-(5-methyl-2-azabicyclo[3.1.0]hexan-3-yl)-1H-imidazol-5-yl]-3-[2-(5-methyl-2-azabicyclo[3.1.0]hexan-3-yl)-3H-pyrrol-4-yl]-6H-indolo[1,2-c][1,3]benzoxazine
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6-(1,3-benzothiazol-2-yl)-3-(3-methyl-2-pyrrolidin-2-yl-4,5-dihydro-3H-azepin-6-yl)-10-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-6H-indolo[1,2-c][1,3]benzoxazine
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2-[(1E,3E)-4-(6-ethyl-3-pyridinyl)buta-1,3-dienyl]-6-propan-2-yloxy-1,3-benzothiazole;2-(3-methylphenyl)-7-(2-methylpropyl)imidazo[1,2-a]pyrimidine;6-methyl-N-propan-2-yl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine;2-[3-(2-methylpropyl)phenyl]imidazo[1,2-a]pyrimidin-7-amine;2-[(1E,3E)-4-[6-(2-methylpropyl)-3-pyridinyl]buta-1,3-dienyl]-1,3-benzothiazol-6-ol;2-(3-propan-2-ylphenyl)imidazo[1,2-a]pyrimidin-7-amine;6-propan-2-yl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine
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6-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1,3-benzodioxole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;5-propan-2-yl-1H-indazole;6-propan-2-yl-1H-indazole;2-propan-2-ylquinoline;6-propan-2-ylquinoline;7-propan-2-ylquinoline
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3-(4-Fluorophenyl)-7-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridine;3-(3-methyl-4-pyridinyl)-7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;5-[7-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole;7-(4-propan-2-yloxyphenyl)-3-thiophen-2-ylimidazo[1,2-a]pyridine;7-(4-propan-2-yloxyphenyl)-3-thiophen-3-ylimidazo[1,2-a]pyridine
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5-tert-butyl-2,1,3-benzothiadiazole;5-tert-butyl-1,3-benzothiazole;6-tert-butyl-2,3-dihydro-1,4-benzodioxine;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-indazole;5-tert-butyl-1H-indole;5-tert-butyl-3H-indole;6-tert-butyl-1H-isoindole;6-tert-butylquinoline;6-tert-butylquinoxaline;6-propan-2-yl-1,3-benzothiazole
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5-[(4-tert-butylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propan-2-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1,3-benzothiazole;N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinolin-6-amine
CID 158359149

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-ethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-propan-2-yloxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propan-2-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1,3-benzothiazole;N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinolin-6-amine?
The IUPAC name of 5-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-ethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-propan-2-yloxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propan-2-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1,3-benzothiazole;N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinolin-6-amine (CID 159052142) is 5-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-ethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-propan-2-yloxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propan-2-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1,3-benzothiazole;N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinolin-6-amine.
What is the SMILES notation for 5-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-ethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-propan-2-yloxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propan-2-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1,3-benzothiazole;N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinolin-6-amine?
The canonical SMILES for 5-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-ethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-propan-2-yloxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propan-2-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1,3-benzothiazole;N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinolin-6-amine is CC(C)Oc1cccc(Cc2cnc3[nH]ccc3c2)c1.CC(C)c1ccc(Cc2cnc3[nH]ccc3c2)cc1.CCCc1ccc(Cc2cnc3[nH]ccc3c2)cc1.CCOc1cccc(Cc2cnc3[nH]ccc3c2)c1.COc1cccc(Cc2cnc3[nH]ccc3c2)c1.Cc1ccc(Cc2cnc3[nH]ccc3c2)cc1.Cc1cccc(Cc2cnc3[nH]ccc3c2)c1.Fc1ccc(Cc2cnc3[nH]ccc3c2)cc1F.Fc1cccc(Cc2cnc3[nH]ccc3c2)c1.c1cc2cc(Cc3ccc4ncsc4c3)cnc2[nH]1.c1cnc2ccc(Nc3cnc4[nH]ccc4c3)cc2c1.
What is the InChIKey of 5-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-ethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-propan-2-yloxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propan-2-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1,3-benzothiazole;N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinolin-6-amine?
The InChIKey is JXJXKOLDIZPTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O.2C17H18N2.C16H12N4.C16H16N2O.C15H11N3S.C15H14N2O.2C15H14N2.C14H10F2N2.C14H11FN2/c1-12(2)20-16-5-3-4-13(10-16)8-14-9-15-6-7-18-17(15)19-11-14;1-12(2)15-5-3-13(4-6-15)9-14-10-16-7-8-18-17(16)19-11-14;1-2-3-13-4-6-14(7-5-13)10-15-11-16-8-9-18-17(16)19-12-15;1-2-11-8-13(3-4-15(11)17-6-1)20-14-9-12-5-7-18-16(12)19-10-14;1-2-19-15-5-3-4-12(10-15)8-13-9-14-6-7-17-16(14)18-11-13;1-2-13-14(19-9-18-13)7-10(1)5-11-6-12-3-4-16-15(12)17-8-11;1-18-14-4-2-3-11(9-14)7-12-8-13-5-6-16-15(13)17-10-12;1-11-2-4-12(5-3-11)8-13-9-14-6-7-16-15(14)17-10-13;1-11-3-2-4-12(7-11)8-13-9-14-5-6-16-15(14)17-10-13;15-12-2-1-9(7-13(12)16)5-10-6-11-3-4-17-14(11)18-8-10;15-13-3-1-2-10(8-13)6-11-7-12-4-5-16-14(12)17-9-11/h3-7,9-12H,8H2,1-2H3,(H,18,19);3-8,10-12H,9H2,1-2H3,(H,18,19);4-9,11-12H,2-3,10H2,1H3,(H,18,19);1-10,20H,(H,18,19);3-7,9-11H,2,8H2,1H3,(H,17,18);1-4,6-9H,5H2,(H,16,17);2-6,8-10H,7H2,1H3,(H,16,17);2*2-7,9-10H,8H2,1H3,(H,16,17);1-4,6-8H,5H2,(H,17,18);1-5,7-9H,6H2,(H,16,17).
What are the key properties of 5-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-ethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-propan-2-yloxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propan-2-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1,3-benzothiazole;N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinolin-6-amine?
5-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-ethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-propan-2-yloxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propan-2-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1,3-benzothiazole;N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinolin-6-amine has a molecular weight of 2698.36 g/mol, XLogP of 40.31, 30 rotatable bonds, 12 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-difluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-ethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-fluorophenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-methoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(3-propan-2-yloxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propan-2-ylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;5-[(4-propylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine;6-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)-1,3-benzothiazole;N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinolin-6-amine is sourced from PubChem (CID 159052142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).