sodium;5-(2,3-dihydro-1-benzofuran-5-yl)-1-methyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;hydroxide

C37H31N8NaO3 — CID 159537920

IUPACsodium;5-(2,3-dihydro-1-benzofuran-5-yl)-1-methyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;hydroxide
SMILESCn1cc(-c2cn[nH]c2)c2cc(-c3ccc4c(c3)CCO4)cnc21.[Na+].[OH-].c1cc2c(cc1-c1cnc3[nH]cc(-c4cn[nH]c4)c3c1)CCO2
InChIInChI=1S/C19H16N4O.C18H14N4O.Na.H2O/c1-23-11-17(15-9-21-22-10-15)16-7-14(8-20-19(16)23)12-2-3-18-13(6-12)4-5-24-18;1-2-17-12(3-4-23-17)5-11(1)13-6-15-16(14-8-21-22-9-14)10-20-18(15)19-7-13;;/h2-3,6-11H,4-5H2,1H3,(H,21,22);1-2,5-10H,3-4H2,(H,19,20)(H,21,22);;1H2/q;;+1;/p-1
InChIKeyMDVFLQJVGDKIQM-UHFFFAOYSA-M
MW658.70 g/mol
LogP3.95
Rot. Bonds4

About sodium;5-(2,3-dihydro-1-benzofuran-5-yl)-1-methyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;hydroxide

sodium;5-(2,3-dihydro-1-benzofuran-5-yl)-1-methyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;hydroxide (PubChem CID 159537920) has the molecular formula C37H31N8NaO3 and a molecular weight of 658.70 g/mol. Its IUPAC name is sodium;5-(2,3-dihydro-1-benzofuran-5-yl)-1-methyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;hydroxide.

Molecular Properties

Compound Namesodium;5-(2,3-dihydro-1-benzofuran-5-yl)-1-methyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;hydroxide
PubChem CID159537920
Molecular FormulaC37H31N8NaO3
Molecular Weight658.70 g/mol
Exact Mass658.24
IUPAC Namesodium;5-(2,3-dihydro-1-benzofuran-5-yl)-1-methyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;hydroxide
SMILESCn1cc(-c2cn[nH]c2)c2cc(-c3ccc4c(c3)CCO4)cnc21.[Na+].[OH-].c1cc2c(cc1-c1cnc3[nH]cc(-c4cn[nH]c4)c3c1)CCO2
InChIInChI=1S/C19H16N4O.C18H14N4O.Na.H2O/c1-23-11-17(15-9-21-22-10-15)16-7-14(8-20-19(16)23)12-2-3-18-13(6-12)4-5-24-18;1-2-17-12(3-4-23-17)5-11(1)13-6-15-16(14-8-21-22-9-14)10-20-18(15)19-7-13;;/h2-3,6-11H,4-5H2,1H3,(H,21,22);1-2,5-10H,3-4H2,(H,19,20)(H,21,22);;1H2/q;;+1;/p-1
InChIKeyMDVFLQJVGDKIQM-UHFFFAOYSA-M
XLogP3.95
TPSA152.32 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500658.70
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze sodium;5-(2,3-dihydro-1-benzofuran-5-yl)-1-methyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;hydroxide with MolForge

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Related Compounds

4-(2-(4-(3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy)ethyl)morpholine
CID 52945752
3-(4-methoxyphenyl)-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 146274585
US10072001, Example 84
CID 118537739
US10072001, Example 10
CID 118537774
4-[6-(4-benzyloxyphenyl)-3-(1H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholine
CID 15958048
6-(4-benzyloxyphenyl)-7-piperazin-1-yl-3-(1H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
CID 15958049
6-(4-benzyloxyphenyl)-7-(1-piperidyl)-3-(1H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
CID 15958052
2-{3-[(2,4-dimethylphenoxy)methyl]phenyl}-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidine
CID 135568149
3-[3-fluoro-4-(oxan-4-yloxy)phenyl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 72944686
4-[2-[4-[3-[3-fluoro-4-(oxan-4-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]ethyl]morpholine
CID 72944897
3-[1-[(3,5-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(4-methoxy-3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 118531945
3-[4-[3-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methylphenoxy]-N,N-dimethylpropan-1-amine
CID 118531946

Frequently Asked Questions

What is the IUPAC name of sodium;5-(2,3-dihydro-1-benzofuran-5-yl)-1-methyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;hydroxide?
The IUPAC name of sodium;5-(2,3-dihydro-1-benzofuran-5-yl)-1-methyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;hydroxide (CID 159537920) is sodium;5-(2,3-dihydro-1-benzofuran-5-yl)-1-methyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;hydroxide.
What is the SMILES notation for sodium;5-(2,3-dihydro-1-benzofuran-5-yl)-1-methyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;hydroxide?
The canonical SMILES for sodium;5-(2,3-dihydro-1-benzofuran-5-yl)-1-methyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;hydroxide is Cn1cc(-c2cn[nH]c2)c2cc(-c3ccc4c(c3)CCO4)cnc21.[Na+].[OH-].c1cc2c(cc1-c1cnc3[nH]cc(-c4cn[nH]c4)c3c1)CCO2.
What is the InChIKey of sodium;5-(2,3-dihydro-1-benzofuran-5-yl)-1-methyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;hydroxide?
The InChIKey is MDVFLQJVGDKIQM-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H16N4O.C18H14N4O.Na.H2O/c1-23-11-17(15-9-21-22-10-15)16-7-14(8-20-19(16)23)12-2-3-18-13(6-12)4-5-24-18;1-2-17-12(3-4-23-17)5-11(1)13-6-15-16(14-8-21-22-9-14)10-20-18(15)19-7-13;;/h2-3,6-11H,4-5H2,1H3,(H,21,22);1-2,5-10H,3-4H2,(H,19,20)(H,21,22);;1H2/q;;+1;/p-1.
What are the key properties of sodium;5-(2,3-dihydro-1-benzofuran-5-yl)-1-methyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;hydroxide?
sodium;5-(2,3-dihydro-1-benzofuran-5-yl)-1-methyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;hydroxide has a molecular weight of 658.70 g/mol, XLogP of 3.95, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;5-(2,3-dihydro-1-benzofuran-5-yl)-1-methyl-3-(1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;hydroxide is sourced from PubChem (CID 159537920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).