5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-(1-methylpyrazol-3-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol

C20H18FN5O2 — CID 156781794

IUPAC5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-(1-methylpyrazol-3-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol
SMILESCOc1cccc(F)c1-c1cc2c(/C(C)=N/c3ccn(C)n3)c(O)[nH]c2cn1
InChIInChI=1S/C20H18FN5O2/c1-11(23-17-7-8-26(2)25-17)18-12-9-14(22-10-15(12)24-20(18)27)19-13(21)5-4-6-16(19)28-3/h4-10,24,27H,1-3H3/b23-11+
InChIKeyOUTNLIFEYWTMCE-FOKLQQMPSA-N
MW379.40 g/mol
LogP3.96
Rot. Bonds4

About 5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-(1-methylpyrazol-3-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol

5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-(1-methylpyrazol-3-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol (PubChem CID 156781794) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is 5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-(1-methylpyrazol-3-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol.

Molecular Properties

Compound Name5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-(1-methylpyrazol-3-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol
PubChem CID156781794
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-(1-methylpyrazol-3-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol
SMILESCOc1cccc(F)c1-c1cc2c(/C(C)=N/c3ccn(C)n3)c(O)[nH]c2cn1
InChIInChI=1S/C20H18FN5O2/c1-11(23-17-7-8-26(2)25-17)18-12-9-14(22-10-15(12)24-20(18)27)19-13(21)5-4-6-16(19)28-3/h4-10,24,27H,1-3H3/b23-11+
InChIKeyOUTNLIFEYWTMCE-FOKLQQMPSA-N
XLogP3.96
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-(1-methylpyrazol-3-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[N-(1-ethylpyrazol-4-yl)-C-methylcarbonimidoyl]-5-(2-fluoro-6-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 156781868
3-[N-(1,5-dimethylpyrazol-3-yl)-C-methylcarbonimidoyl]-5-(2-fluoro-6-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 146463517
(2S)-2-[4-[1-[5-(2-fluoro-6-methoxyphenyl)-2-hydroxy-1H-pyrrolo[2,3-c]pyridin-3-yl]ethylideneamino]pyrazol-1-yl]propanenitrile
CID 151174197
5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 156781798
6-chloro-5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-(1-methylpyrazol-4-yl)carbonimidoyl]-1H-indol-2-ol
CID 166571949
3-[N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 150823366
3-[N-[1-[(3R)-3-hydroxybutyl]pyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 146463162
3-[N-[1-(3-hydroxy-3-methylbutyl)pyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 156781839
3-[N-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)phenyl]-C-methylcarbonimidoyl]-5-(2-fluoro-6-methoxyphenyl)-1H-indol-2-ol
CID 151005541
3-[N-[1-(difluoromethyl)-5-methylpyrazol-3-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 146462774
5-(2-fluoro-6-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine
CID 134327883
5-(1,5-dimethylpyrazol-4-yl)-3-[C-methyl-N-(1-methylpyrazol-4-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 156781805

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-(1-methylpyrazol-3-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol?
The IUPAC name of 5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-(1-methylpyrazol-3-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol (CID 156781794) is 5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-(1-methylpyrazol-3-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol.
What is the SMILES notation for 5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-(1-methylpyrazol-3-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol?
The canonical SMILES for 5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-(1-methylpyrazol-3-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol is COc1cccc(F)c1-c1cc2c(/C(C)=N/c3ccn(C)n3)c(O)[nH]c2cn1.
What is the InChIKey of 5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-(1-methylpyrazol-3-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol?
The InChIKey is OUTNLIFEYWTMCE-FOKLQQMPSA-N. The full InChI is InChI=1S/C20H18FN5O2/c1-11(23-17-7-8-26(2)25-17)18-12-9-14(22-10-15(12)24-20(18)27)19-13(21)5-4-6-16(19)28-3/h4-10,24,27H,1-3H3/b23-11+.
What are the key properties of 5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-(1-methylpyrazol-3-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol?
5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-(1-methylpyrazol-3-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol has a molecular weight of 379.40 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-(1-methylpyrazol-3-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol is sourced from PubChem (CID 156781794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).