4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6H-pyrrolo[3,4-b]pyridin-5-ol

C17H13FN4O — CID 137021720

IUPAC4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6H-pyrrolo[3,4-b]pyridin-5-ol
SMILESCn1cc(-c2ccnc3c[nH]c(O)c23)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H13FN4O/c1-22-9-13(16(21-22)10-2-4-11(18)5-3-10)12-6-7-19-14-8-20-17(23)15(12)14/h2-9,20,23H,1H3
InChIKeyJCPGDLNQJDFWTQ-UHFFFAOYSA-N
MW308.32 g/mol
LogP3.48
Rot. Bonds2

About 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6H-pyrrolo[3,4-b]pyridin-5-ol

4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6H-pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 137021720) has the molecular formula C17H13FN4O and a molecular weight of 308.32 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6H-pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6H-pyrrolo[3,4-b]pyridin-5-ol
PubChem CID137021720
Molecular FormulaC17H13FN4O
Molecular Weight308.32 g/mol
Exact Mass308.11
IUPAC Name4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6H-pyrrolo[3,4-b]pyridin-5-ol
SMILESCn1cc(-c2ccnc3c[nH]c(O)c23)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C17H13FN4O/c1-22-9-13(16(21-22)10-2-4-11(18)5-3-10)12-6-7-19-14-8-20-17(23)15(12)14/h2-9,20,23H,1H3
InChIKeyJCPGDLNQJDFWTQ-UHFFFAOYSA-N
XLogP3.48
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(E)-[3-(1H-pyrrol-2-yl)indazol-6-ylidene]methyl]-1H-indol-2-ol
CID 135988914
3-{2-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl}phenol
CID 16188061
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2353582
3-{2-[(1-phenyl-1H-pyrazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl}phenol
CID 16192333
3-[[4-(triazol-2-yl)phenyl]iminomethyl]-1H-indol-2-ol
CID 171355106
3-(1H-indol-3-yl)-4-(pentylideneamino)-1H-pyrrole-2,5-diol
CID 91245852
6-[2-Methyl-3-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]propyl]pyrrolo[3,4-b]pyridin-5-ol
CID 137248557
1-(7-Chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2,2,2-trifluoro-1-[1-(4-fluorophenyl)-1H-indazol-5-yl]ethanol
CID 24959089
2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[3,2-b]pyridin-3-yl)ethanol
CID 24959091
2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[2,3-c]pyridin-3-yl)ethanol
CID 24959092
2,2,2-trifluoro-1-[1-(4-fluorophenyl)indazol-5-yl]-1-(1H-pyrrolo[3,2-c]pyridin-3-yl)ethanol
CID 24959093
2,2,2-trifluoro-1-(1H-indol-3-yl)-1-(1-pyridin-3-yl-1H-indazol-5-yl)ethanol
CID 24960918

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6H-pyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6H-pyrrolo[3,4-b]pyridin-5-ol (CID 137021720) is 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6H-pyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6H-pyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6H-pyrrolo[3,4-b]pyridin-5-ol is Cn1cc(-c2ccnc3c[nH]c(O)c23)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6H-pyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is JCPGDLNQJDFWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4O/c1-22-9-13(16(21-22)10-2-4-11(18)5-3-10)12-6-7-19-14-8-20-17(23)15(12)14/h2-9,20,23H,1H3.
What are the key properties of 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6H-pyrrolo[3,4-b]pyridin-5-ol?
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6H-pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 308.32 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-6H-pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 137021720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).