1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylpropan-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine

C64H55F3N14O3 — CID 161186013

IUPAC1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylpropan-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCC(=O)n1cc(-c2c[nH]c3ncc(-c4ccc(N(C)C)cc4)cc23)cn1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4cnn(C(=O)CCc5ccccc5)c4)c3c2)cc1.FC(F)(F)Oc1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1
InChIInChI=1S/C27H25N5O.C20H19N5O.C17H11F3N4O/c1-31(2)23-11-9-20(10-12-23)21-14-24-25(17-29-27(24)28-15-21)22-16-30-32(18-22)26(33)13-8-19-6-4-3-5-7-19;1-13(26)25-12-16(10-23-25)19-11-22-20-18(19)8-15(9-21-20)14-4-6-17(7-5-14)24(2)3;18-17(19,20)25-13-3-1-10(2-4-13)11-5-14-15(12-7-23-24-8-12)9-22-16(14)21-6-11/h3-7,9-12,14-18H,8,13H2,1-2H3,(H,28,29);4-12H,1-3H3,(H,21,22);1-9H,(H,21,22)(H,23,24)
InChIKeyUTBXHGXHUKCTOS-UHFFFAOYSA-N
MW1125.23 g/mol
LogP13.77
Rot. Bonds12

About 1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylpropan-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine

1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylpropan-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 161186013) has the molecular formula C64H55F3N14O3 and a molecular weight of 1125.23 g/mol. Its IUPAC name is 1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylpropan-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylpropan-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID161186013
Molecular FormulaC64H55F3N14O3
Molecular Weight1125.23 g/mol
Exact Mass1124.45
IUPAC Name1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylpropan-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCC(=O)n1cc(-c2c[nH]c3ncc(-c4ccc(N(C)C)cc4)cc23)cn1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4cnn(C(=O)CCc5ccccc5)c4)c3c2)cc1.FC(F)(F)Oc1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1
InChIInChI=1S/C27H25N5O.C20H19N5O.C17H11F3N4O/c1-31(2)23-11-9-20(10-12-23)21-14-24-25(17-29-27(24)28-15-21)22-16-30-32(18-22)26(33)13-8-19-6-4-3-5-7-19;1-13(26)25-12-16(10-23-25)19-11-22-20-18(19)8-15(9-21-20)14-4-6-17(7-5-14)24(2)3;18-17(19,20)25-13-3-1-10(2-4-13)11-5-14-15(12-7-23-24-8-12)9-22-16(14)21-6-11/h3-7,9-12,14-18H,8,13H2,1-2H3,(H,28,29);4-12H,1-3H3,(H,21,22);1-9H,(H,21,22)(H,23,24)
InChIKeyUTBXHGXHUKCTOS-UHFFFAOYSA-N
XLogP13.77
TPSA200.21 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001125.23
LogP ≤ 513.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylpropan-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 137038045
N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137038319
2-cyclohexyl-N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 137489467
N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 138603252
2-cyclohexyl-N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]acetamide
CID 138603508
N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 138603681
N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 138604171
2-cyclohexyl-N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 138604328
N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 138604423
N-[4-[4-amino-5-[2-[[3-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-4-methyl-2-[2-methyl-4-(prop-2-enoylamino)phenyl]pyrrolo[3,2-c]pyridin-1-yl]methyl]-1H-pyrazol-2-ium-4-yl]-7-methylpyrrolo[2,3-d]pyrimidin-6-yl]phenyl]prop-2-enamide
CID 155722892
N-[4-(6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-2-methyl-2-phenylpropanamide;N-[4-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-phenylcyclopropane-1-carboxamide;1-(3-methoxyphenyl)-N-[4-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]cyclopropane-1-carboxamide;N-[4-(6-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 157285032
[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-(1-methylpyrrol-2-yl)methanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylprop-2-yn-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 158317650

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylpropan-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylpropan-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine (CID 161186013) is 1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylpropan-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylpropan-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylpropan-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine is CC(=O)n1cc(-c2c[nH]c3ncc(-c4ccc(N(C)C)cc4)cc23)cn1.CN(C)c1ccc(-c2cnc3[nH]cc(-c4cnn(C(=O)CCc5ccccc5)c4)c3c2)cc1.FC(F)(F)Oc1ccc(-c2cnc3[nH]cc(-c4cn[nH]c4)c3c2)cc1.
What is the InChIKey of 1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylpropan-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is UTBXHGXHUKCTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O.C20H19N5O.C17H11F3N4O/c1-31(2)23-11-9-20(10-12-23)21-14-24-25(17-29-27(24)28-15-21)22-16-30-32(18-22)26(33)13-8-19-6-4-3-5-7-19;1-13(26)25-12-16(10-23-25)19-11-22-20-18(19)8-15(9-21-20)14-4-6-17(7-5-14)24(2)3;18-17(19,20)25-13-3-1-10(2-4-13)11-5-14-15(12-7-23-24-8-12)9-22-16(14)21-6-11/h3-7,9-12,14-18H,8,13H2,1-2H3,(H,28,29);4-12H,1-3H3,(H,21,22);1-9H,(H,21,22)(H,23,24).
What are the key properties of 1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylpropan-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine?
1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylpropan-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1125.23 g/mol, XLogP of 13.77, 12 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]ethanone;1-[4-[5-[4-(dimethylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrazol-1-yl]-3-phenylpropan-1-one;3-(1H-pyrazol-4-yl)-5-[4-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 161186013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).