4-chloro-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;N-(2-fluorophenyl)-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine;7-hydroxy-2-[3-(3-phenylpropoxy)phenyl]pyrrolo[2,3-b]pyridine

C72H63ClFN7O4 — CID 161167047

IUPAC4-chloro-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;N-(2-fluorophenyl)-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine;7-hydroxy-2-[3-(3-phenylpropoxy)phenyl]pyrrolo[2,3-b]pyridine
SMILESClc1ccnc2[nH]c(-c3cccc(OCCCc4ccccc4)c3)cc12.Fc1ccccc1Nc1ccnc2[nH]c(-c3cccc(OCCCc4ccccc4)c3)cc12.On1cccc2cc(-c3cccc(OCCCc4ccccc4)c3)nc1-2
InChIInChI=1S/C28H24FN3O.C22H19ClN2O.C22H20N2O2/c29-24-13-4-5-14-26(24)31-25-15-16-30-28-23(25)19-27(32-28)21-11-6-12-22(18-21)33-17-7-10-20-8-2-1-3-9-20;23-20-11-12-24-22-19(20)15-21(25-22)17-9-4-10-18(14-17)26-13-5-8-16-6-2-1-3-7-16;25-24-13-5-11-19-16-21(23-22(19)24)18-10-4-12-20(15-18)26-14-6-9-17-7-2-1-3-8-17/h1-6,8-9,11-16,18-19H,7,10,17H2,(H2,30,31,32);1-4,6-7,9-12,14-15H,5,8,13H2,(H,24,25);1-5,7-8,10-13,15-16,25H,6,9,14H2
InChIKeyAWAFTMLPHWKSDD-UHFFFAOYSA-N
MW1144.79 g/mol
LogP17.92
Rot. Bonds20

About 4-chloro-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;N-(2-fluorophenyl)-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine;7-hydroxy-2-[3-(3-phenylpropoxy)phenyl]pyrrolo[2,3-b]pyridine

4-chloro-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;N-(2-fluorophenyl)-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine;7-hydroxy-2-[3-(3-phenylpropoxy)phenyl]pyrrolo[2,3-b]pyridine (PubChem CID 161167047) has the molecular formula C72H63ClFN7O4 and a molecular weight of 1144.79 g/mol. Its IUPAC name is 4-chloro-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;N-(2-fluorophenyl)-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine;7-hydroxy-2-[3-(3-phenylpropoxy)phenyl]pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-chloro-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;N-(2-fluorophenyl)-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine;7-hydroxy-2-[3-(3-phenylpropoxy)phenyl]pyrrolo[2,3-b]pyridine
PubChem CID161167047
Molecular FormulaC72H63ClFN7O4
Molecular Weight1144.79 g/mol
Exact Mass1143.46
IUPAC Name4-chloro-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;N-(2-fluorophenyl)-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine;7-hydroxy-2-[3-(3-phenylpropoxy)phenyl]pyrrolo[2,3-b]pyridine
SMILESClc1ccnc2[nH]c(-c3cccc(OCCCc4ccccc4)c3)cc12.Fc1ccccc1Nc1ccnc2[nH]c(-c3cccc(OCCCc4ccccc4)c3)cc12.On1cccc2cc(-c3cccc(OCCCc4ccccc4)c3)nc1-2
InChIInChI=1S/C28H24FN3O.C22H19ClN2O.C22H20N2O2/c29-24-13-4-5-14-26(24)31-25-15-16-30-28-23(25)19-27(32-28)21-11-6-12-22(18-21)33-17-7-10-20-8-2-1-3-9-20;23-20-11-12-24-22-19(20)15-21(25-22)17-9-4-10-18(14-17)26-13-5-8-16-6-2-1-3-7-16;25-24-13-5-11-19-16-21(23-22(19)24)18-10-4-12-20(15-18)26-14-6-9-17-7-2-1-3-8-17/h1-6,8-9,11-16,18-19H,7,10,17H2,(H2,30,31,32);1-4,6-7,9-12,14-15H,5,8,13H2,(H,24,25);1-5,7-8,10-13,15-16,25H,6,9,14H2
InChIKeyAWAFTMLPHWKSDD-UHFFFAOYSA-N
XLogP17.92
TPSA135.13 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001144.79
LogP ≤ 517.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

Analyze 4-chloro-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;N-(2-fluorophenyl)-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine;7-hydroxy-2-[3-(3-phenylpropoxy)phenyl]pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

US20240116947, Example 16
CID 162441392
N-(3-chloro-4-fluorophenyl)-2-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 11976156
6-(6-chloro-3-pyridinyl)-4-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrimidine-2,4-diamine
CID 58733353
N-(3-fluorophenyl)-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 59765094
N-(2-fluorophenyl)-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 59765139
5-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-3-piperidin-4-yl-8,9-dihydro-7H-pyrido[3,2-c]azepine
CID 126557306
N-[[4-chloro-3-[2-fluoro-5-[4-[4-[[(1R)-1-(3-methoxyphenyl)ethyl]carbamoyl]piperazin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]phenyl]methyl]-4-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperazine-1-carboxamide
CID 137551582
3-[5-[4-amino-5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-chloro-4-pyridinyl]propan-1-ol
CID 155287936
1-[4-[4-amino-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-1-yl]butyl]-3-[4-chloro-3-(trifluoromethyl)phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[1-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]butyl]-3-(3-methoxyphenyl)pyrrolo[3,2-c]pyridin-4-yl]urea;3-(3-phenylmethoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
CID 157385804
2-[(4-chlorophenyl)methylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[(2-fluorophenyl)methylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[(4-fluorophenyl)methylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[(3-methoxyphenyl)methylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-(3-methylbutan-2-ylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-(pyridin-4-ylmethylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile
CID 158061850
4-chloro-7H-pyrrolo[2,3-d]pyrimidine;4-nitrophenol;4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)aniline;1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 159824200
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]urea;3-(3-phenylmethoxyphenyl)-1H-pyrrolo[3,2-c]pyridin-4-amine
CID 160333491

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;N-(2-fluorophenyl)-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine;7-hydroxy-2-[3-(3-phenylpropoxy)phenyl]pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-chloro-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;N-(2-fluorophenyl)-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine;7-hydroxy-2-[3-(3-phenylpropoxy)phenyl]pyrrolo[2,3-b]pyridine (CID 161167047) is 4-chloro-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;N-(2-fluorophenyl)-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine;7-hydroxy-2-[3-(3-phenylpropoxy)phenyl]pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-chloro-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;N-(2-fluorophenyl)-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine;7-hydroxy-2-[3-(3-phenylpropoxy)phenyl]pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-chloro-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;N-(2-fluorophenyl)-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine;7-hydroxy-2-[3-(3-phenylpropoxy)phenyl]pyrrolo[2,3-b]pyridine is Clc1ccnc2[nH]c(-c3cccc(OCCCc4ccccc4)c3)cc12.Fc1ccccc1Nc1ccnc2[nH]c(-c3cccc(OCCCc4ccccc4)c3)cc12.On1cccc2cc(-c3cccc(OCCCc4ccccc4)c3)nc1-2.
What is the InChIKey of 4-chloro-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;N-(2-fluorophenyl)-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine;7-hydroxy-2-[3-(3-phenylpropoxy)phenyl]pyrrolo[2,3-b]pyridine?
The InChIKey is AWAFTMLPHWKSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN3O.C22H19ClN2O.C22H20N2O2/c29-24-13-4-5-14-26(24)31-25-15-16-30-28-23(25)19-27(32-28)21-11-6-12-22(18-21)33-17-7-10-20-8-2-1-3-9-20;23-20-11-12-24-22-19(20)15-21(25-22)17-9-4-10-18(14-17)26-13-5-8-16-6-2-1-3-7-16;25-24-13-5-11-19-16-21(23-22(19)24)18-10-4-12-20(15-18)26-14-6-9-17-7-2-1-3-8-17/h1-6,8-9,11-16,18-19H,7,10,17H2,(H2,30,31,32);1-4,6-7,9-12,14-15H,5,8,13H2,(H,24,25);1-5,7-8,10-13,15-16,25H,6,9,14H2.
What are the key properties of 4-chloro-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;N-(2-fluorophenyl)-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine;7-hydroxy-2-[3-(3-phenylpropoxy)phenyl]pyrrolo[2,3-b]pyridine?
4-chloro-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;N-(2-fluorophenyl)-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine;7-hydroxy-2-[3-(3-phenylpropoxy)phenyl]pyrrolo[2,3-b]pyridine has a molecular weight of 1144.79 g/mol, XLogP of 17.92, 20 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine;N-(2-fluorophenyl)-2-[3-(3-phenylpropoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine;7-hydroxy-2-[3-(3-phenylpropoxy)phenyl]pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 161167047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).