5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine

C71H60FN17O4 — CID 157091395

IUPAC5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine
SMILESCOc1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.COc1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1OC.Fc1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.c1cc(N2CCOCC2)ccc1-c1cnc2[nH]cc(-c3cn[nH]c3)c2c1
InChIInChI=1S/C20H19N5O.C18H16N4O2.C17H14N4O.C16H11FN4/c1-3-17(25-5-7-26-8-6-25)4-2-14(1)15-9-18-19(16-11-23-24-12-16)13-22-20(18)21-10-15;1-23-16-4-3-11(6-17(16)24-2)12-5-14-15(13-8-21-22-9-13)10-20-18(14)19-7-12;1-22-14-4-2-11(3-5-14)12-6-15-16(13-8-20-21-9-13)10-19-17(15)18-7-12;17-13-3-1-10(2-4-13)11-5-14-15(12-7-20-21-8-12)9-19-16(14)18-6-11/h1-4,9-13H,5-8H2,(H,21,22)(H,23,24);3-10H,1-2H3,(H,19,20)(H,21,22);2-10H,1H3,(H,18,19)(H,20,21);1-9H,(H,18,19)(H,20,21)
InChIKeyAERZZCPFLMTBFD-UHFFFAOYSA-N
MW1234.37 g/mol
LogP14.48
Rot. Bonds12

About 5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine

5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine (PubChem CID 157091395) has the molecular formula C71H60FN17O4 and a molecular weight of 1234.37 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine
PubChem CID157091395
Molecular FormulaC71H60FN17O4
Molecular Weight1234.37 g/mol
Exact Mass1233.50
IUPAC Name5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine
SMILESCOc1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.COc1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1OC.Fc1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.c1cc(N2CCOCC2)ccc1-c1cnc2[nH]cc(-c3cn[nH]c3)c2c1
InChIInChI=1S/C20H19N5O.C18H16N4O2.C17H14N4O.C16H11FN4/c1-3-17(25-5-7-26-8-6-25)4-2-14(1)15-9-18-19(16-11-23-24-12-16)13-22-20(18)21-10-15;1-23-16-4-3-11(6-17(16)24-2)12-5-14-15(13-8-21-22-9-13)10-20-18(14)19-7-12;1-22-14-4-2-11(3-5-14)12-6-15-16(13-8-20-21-9-13)10-19-17(15)18-7-12;17-13-3-1-10(2-4-13)11-5-14-15(12-7-20-21-8-12)9-19-16(14)18-6-11/h1-4,9-13H,5-8H2,(H,21,22)(H,23,24);3-10H,1-2H3,(H,19,20)(H,21,22);2-10H,1H3,(H,18,19)(H,20,21);1-9H,(H,18,19)(H,20,21)
InChIKeyAERZZCPFLMTBFD-UHFFFAOYSA-N
XLogP14.48
TPSA269.60 Ų
H-Bond Donors8
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001234.37
LogP ≤ 514.48
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1013

Analyze 5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine with MolForge

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Related Compounds

N-[1,3-benzodioxol-5-yl-[2-[(3,5-difluorophenyl)methylamino]-9-(1H-indazol-6-yl)purin-7-ium-7-yl]methyl]-9-(1H-indazol-6-yl)-7-[[[9-(1H-indazol-6-yl)purin-2-yl]-[(3-methoxyphenyl)methyl]amino]methyl]purin-7-ium-2-amine
CID 123612219
3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 136937445
3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 136937588
N-[[5-[3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137041977
3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 137057100
3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 137057110
N-[[5-[3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137057122
N-[[5-[1-[1-[3-[3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-benzimidazol-4-yl]phenoxy]propyl]pyrrolidin-3-yl]-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137087283
N-[[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137117002
N-[[5-[3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine
CID 137174342
N-[[5-[3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137174352
3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-5-[5-(piperidin-4-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 137245444

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine (CID 157091395) is 5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine is COc1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.COc1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1OC.Fc1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.c1cc(N2CCOCC2)ccc1-c1cnc2[nH]cc(-c3cn[nH]c3)c2c1.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine?
The InChIKey is AERZZCPFLMTBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O.C18H16N4O2.C17H14N4O.C16H11FN4/c1-3-17(25-5-7-26-8-6-25)4-2-14(1)15-9-18-19(16-11-23-24-12-16)13-22-20(18)21-10-15;1-23-16-4-3-11(6-17(16)24-2)12-5-14-15(13-8-21-22-9-13)10-20-18(14)19-7-12;1-22-14-4-2-11(3-5-14)12-6-15-16(13-8-20-21-9-13)10-19-17(15)18-7-12;17-13-3-1-10(2-4-13)11-5-14-15(12-7-20-21-8-12)9-19-16(14)18-6-11/h1-4,9-13H,5-8H2,(H,21,22)(H,23,24);3-10H,1-2H3,(H,19,20)(H,21,22);2-10H,1H3,(H,18,19)(H,20,21);1-9H,(H,18,19)(H,20,21).
What are the key properties of 5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine?
5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine has a molecular weight of 1234.37 g/mol, XLogP of 14.48, 12 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-fluorophenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;5-(4-methoxyphenyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine is sourced from PubChem (CID 157091395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).