[6-[(3-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-(thiophen-2-ylmethylamino)-3-pyridinyl]methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]methanone

C79H59F5N16O4S — CID 159961041

IUPAC[6-[(3-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-(thiophen-2-ylmethylamino)-3-pyridinyl]methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]methanone
SMILESO=C(c1ccc(NCc2ccc(C(F)(F)F)cc2)nc1)c1c[nH]c2ncccc12.O=C(c1ccc(NCc2ccc(F)cc2)nc1)c1c[nH]c2ncccc12.O=C(c1ccc(NCc2cccc(F)c2)nc1)c1c[nH]c2ncccc12.O=C(c1ccc(NCc2cccs2)nc1)c1c[nH]c2ncccc12
InChIInChI=1S/C21H15F3N4O.2C20H15FN4O.C18H14N4OS/c22-21(23,24)15-6-3-13(4-7-15)10-26-18-8-5-14(11-27-18)19(29)17-12-28-20-16(17)2-1-9-25-20;21-15-4-1-3-13(9-15)10-23-18-7-6-14(11-24-18)19(26)17-12-25-20-16(17)5-2-8-22-20;21-15-6-3-13(4-7-15)10-23-18-8-5-14(11-24-18)19(26)17-12-25-20-16(17)2-1-9-22-20;23-17(15-11-22-18-14(15)4-1-7-19-18)12-5-6-16(20-9-12)21-10-13-3-2-8-24-13/h1-9,11-12H,10H2,(H,25,28)(H,26,27);2*1-9,11-12H,10H2,(H,22,25)(H,23,24);1-9,11H,10H2,(H,19,22)(H,20,21)
InChIKeyODIHQDRVJBQKRZ-UHFFFAOYSA-N
MW1423.51 g/mol
LogP16.56
Rot. Bonds20

About [6-[(3-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-(thiophen-2-ylmethylamino)-3-pyridinyl]methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]methanone

[6-[(3-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-(thiophen-2-ylmethylamino)-3-pyridinyl]methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]methanone (PubChem CID 159961041) has the molecular formula C79H59F5N16O4S and a molecular weight of 1423.51 g/mol. Its IUPAC name is [6-[(3-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-(thiophen-2-ylmethylamino)-3-pyridinyl]methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name[6-[(3-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-(thiophen-2-ylmethylamino)-3-pyridinyl]methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]methanone
PubChem CID159961041
Molecular FormulaC79H59F5N16O4S
Molecular Weight1423.51 g/mol
Exact Mass1422.45
IUPAC Name[6-[(3-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-(thiophen-2-ylmethylamino)-3-pyridinyl]methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]methanone
SMILESO=C(c1ccc(NCc2ccc(C(F)(F)F)cc2)nc1)c1c[nH]c2ncccc12.O=C(c1ccc(NCc2ccc(F)cc2)nc1)c1c[nH]c2ncccc12.O=C(c1ccc(NCc2cccc(F)c2)nc1)c1c[nH]c2ncccc12.O=C(c1ccc(NCc2cccs2)nc1)c1c[nH]c2ncccc12
InChIInChI=1S/C21H15F3N4O.2C20H15FN4O.C18H14N4OS/c22-21(23,24)15-6-3-13(4-7-15)10-26-18-8-5-14(11-27-18)19(29)17-12-28-20-16(17)2-1-9-25-20;21-15-4-1-3-13(9-15)10-23-18-7-6-14(11-24-18)19(26)17-12-25-20-16(17)5-2-8-22-20;21-15-6-3-13(4-7-15)10-23-18-8-5-14(11-24-18)19(26)17-12-25-20-16(17)2-1-9-22-20;23-17(15-11-22-18-14(15)4-1-7-19-18)12-5-6-16(20-9-12)21-10-13-3-2-8-24-13/h1-9,11-12H,10H2,(H,25,28)(H,26,27);2*1-9,11-12H,10H2,(H,22,25)(H,23,24);1-9,11H,10H2,(H,19,22)(H,20,21)
InChIKeyODIHQDRVJBQKRZ-UHFFFAOYSA-N
XLogP16.56
TPSA282.68 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001423.51
LogP ≤ 516.56
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Analyze [6-[(3-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-(thiophen-2-ylmethylamino)-3-pyridinyl]methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]methanone with MolForge

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Related Compounds

3-(3,4-difluorophenyl)-1-[2-[[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]methylamino]-3-pyridinyl]propan-1-one
CID 159314699
[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(3-fluoro-3-methylcyclobutyl)methyl]-3-pyridinyl]methanone;[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]methanone;[2-fluoro-6-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(propan-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
CID 160697290
ethane;1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]butan-1-one;1-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]butan-1-one;1-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-3-yl]butan-1-one
CID 157975539
methane;5-methyl-3-methylsulfanyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-methylsulfonyl-1H-pyrrolo[2,3-b]pyridine;5-methyl-1H-pyrrolo[2,3-b]pyridine;1-(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 158351531
3-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine;carbon dioxide;N-[(1R)-3-[[3,5-difluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]cyclopenta-1,4-diene-1-carboxamide;N-[(1R)-3-[[3,5-difluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-5-methylthiophene-3-carboxamide;bis(1-[(2S,3S)-3-[2-fluoro-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-isocyanoanilino]-2-bicyclo[2.2.2]octanyl]ethanone);1-[(2R,3R)-3-[2-fluoro-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-isocyanoanilino]-2-bicyclo[2.2.2]octanyl]ethanone
CID 160507313
3-[4-(2-bicyclo[2.2.2]octanylmethyl)-2-pyridinyl]-5-fluoro-1H-pyrrolo[2,3-b]pyridine;carbon dioxide;N-[(1R)-3-[[3,5-difluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]cyclopenta-1,4-diene-1-carboxamide;N-[(1R)-3-[[3,5-difluoro-6-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]-5-methylthiophene-3-carboxamide;bis(1-[(2S,3S)-3-[2-fluoro-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-isocyanoanilino]-2-bicyclo[2.2.2]octanyl]ethanone);1-[(2R,3R)-3-[2-fluoro-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-isocyanoanilino]-2-bicyclo[2.2.2]octanyl]ethanone
CID 161333090

Frequently Asked Questions

What is the IUPAC name of [6-[(3-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-(thiophen-2-ylmethylamino)-3-pyridinyl]methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]methanone?
The IUPAC name of [6-[(3-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-(thiophen-2-ylmethylamino)-3-pyridinyl]methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]methanone (CID 159961041) is [6-[(3-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-(thiophen-2-ylmethylamino)-3-pyridinyl]methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]methanone.
What is the SMILES notation for [6-[(3-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-(thiophen-2-ylmethylamino)-3-pyridinyl]methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]methanone?
The canonical SMILES for [6-[(3-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-(thiophen-2-ylmethylamino)-3-pyridinyl]methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]methanone is O=C(c1ccc(NCc2ccc(C(F)(F)F)cc2)nc1)c1c[nH]c2ncccc12.O=C(c1ccc(NCc2ccc(F)cc2)nc1)c1c[nH]c2ncccc12.O=C(c1ccc(NCc2cccc(F)c2)nc1)c1c[nH]c2ncccc12.O=C(c1ccc(NCc2cccs2)nc1)c1c[nH]c2ncccc12.
What is the InChIKey of [6-[(3-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-(thiophen-2-ylmethylamino)-3-pyridinyl]methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]methanone?
The InChIKey is ODIHQDRVJBQKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O.2C20H15FN4O.C18H14N4OS/c22-21(23,24)15-6-3-13(4-7-15)10-26-18-8-5-14(11-27-18)19(29)17-12-28-20-16(17)2-1-9-25-20;21-15-4-1-3-13(9-15)10-23-18-7-6-14(11-24-18)19(26)17-12-25-20-16(17)5-2-8-22-20;21-15-6-3-13(4-7-15)10-23-18-8-5-14(11-24-18)19(26)17-12-25-20-16(17)2-1-9-22-20;23-17(15-11-22-18-14(15)4-1-7-19-18)12-5-6-16(20-9-12)21-10-13-3-2-8-24-13/h1-9,11-12H,10H2,(H,25,28)(H,26,27);2*1-9,11-12H,10H2,(H,22,25)(H,23,24);1-9,11H,10H2,(H,19,22)(H,20,21).
What are the key properties of [6-[(3-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-(thiophen-2-ylmethylamino)-3-pyridinyl]methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]methanone?
[6-[(3-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-(thiophen-2-ylmethylamino)-3-pyridinyl]methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]methanone has a molecular weight of 1423.51 g/mol, XLogP of 16.56, 20 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(3-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-(thiophen-2-ylmethylamino)-3-pyridinyl]methanone;1H-pyrrolo[2,3-b]pyridin-3-yl-[6-[[4-(trifluoromethyl)phenyl]methylamino]-3-pyridinyl]methanone is sourced from PubChem (CID 159961041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).