3-[N-(1-ethylpyrazol-4-yl)-C-methylcarbonimidoyl]-5-(2-fluoro-6-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-ol

C21H20FN5O2 — CID 156781868

IUPAC3-[N-(1-ethylpyrazol-4-yl)-C-methylcarbonimidoyl]-5-(2-fluoro-6-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
SMILESCCn1cc(/N=C(\C)c2c(O)[nH]c3cnc(-c4c(F)cccc4OC)cc23)cn1
InChIInChI=1S/C21H20FN5O2/c1-4-27-11-13(9-24-27)25-12(2)19-14-8-16(23-10-17(14)26-21(19)28)20-15(22)6-5-7-18(20)29-3/h5-11,26,28H,4H2,1-3H3/b25-12+
InChIKeyHNAVMOUOYSUMLC-BRJLIKDPSA-N
MW393.42 g/mol
LogP4.44
Rot. Bonds5

About 3-[N-(1-ethylpyrazol-4-yl)-C-methylcarbonimidoyl]-5-(2-fluoro-6-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-ol

3-[N-(1-ethylpyrazol-4-yl)-C-methylcarbonimidoyl]-5-(2-fluoro-6-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-ol (PubChem CID 156781868) has the molecular formula C21H20FN5O2 and a molecular weight of 393.42 g/mol. Its IUPAC name is 3-[N-(1-ethylpyrazol-4-yl)-C-methylcarbonimidoyl]-5-(2-fluoro-6-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-ol.

Molecular Properties

Compound Name3-[N-(1-ethylpyrazol-4-yl)-C-methylcarbonimidoyl]-5-(2-fluoro-6-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
PubChem CID156781868
Molecular FormulaC21H20FN5O2
Molecular Weight393.42 g/mol
Exact Mass393.16
IUPAC Name3-[N-(1-ethylpyrazol-4-yl)-C-methylcarbonimidoyl]-5-(2-fluoro-6-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
SMILESCCn1cc(/N=C(\C)c2c(O)[nH]c3cnc(-c4c(F)cccc4OC)cc23)cn1
InChIInChI=1S/C21H20FN5O2/c1-4-27-11-13(9-24-27)25-12(2)19-14-8-16(23-10-17(14)26-21(19)28)20-15(22)6-5-7-18(20)29-3/h5-11,26,28H,4H2,1-3H3/b25-12+
InChIKeyHNAVMOUOYSUMLC-BRJLIKDPSA-N
XLogP4.44
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(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
5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-(1-methylpyrazol-3-yl)carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 156781794
6-chloro-5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-(1-methylpyrazol-4-yl)carbonimidoyl]-1H-indol-2-ol
CID 166571949
3-[N-(1,5-dimethylpyrazol-3-yl)-C-methylcarbonimidoyl]-5-(2-fluoro-6-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 146463517
3-[N-[1-(2-hydroxypropyl)pyrazol-4-yl]-C-methylcarbonimidoyl]-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 146463086
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
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
1-[4-[4-[1-[2-hydroxy-5-(4-methyl-3-pyridinyl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethylideneamino]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 156781862
4-fluoro-N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]benzamide
CID 134328024
5-(2-fluoro-6-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine
CID 134327883
3-amino-5-(2-fluoro-6-methoxyphenyl)pyrazolo[3,4-c]pyridine-1-carboxylic acid
CID 134328250

Frequently Asked Questions

What is the IUPAC name of 3-[N-(1-ethylpyrazol-4-yl)-C-methylcarbonimidoyl]-5-(2-fluoro-6-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-ol?
The IUPAC name of 3-[N-(1-ethylpyrazol-4-yl)-C-methylcarbonimidoyl]-5-(2-fluoro-6-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-ol (CID 156781868) is 3-[N-(1-ethylpyrazol-4-yl)-C-methylcarbonimidoyl]-5-(2-fluoro-6-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-ol.
What is the SMILES notation for 3-[N-(1-ethylpyrazol-4-yl)-C-methylcarbonimidoyl]-5-(2-fluoro-6-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-ol?
The canonical SMILES for 3-[N-(1-ethylpyrazol-4-yl)-C-methylcarbonimidoyl]-5-(2-fluoro-6-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-ol is CCn1cc(/N=C(\C)c2c(O)[nH]c3cnc(-c4c(F)cccc4OC)cc23)cn1.
What is the InChIKey of 3-[N-(1-ethylpyrazol-4-yl)-C-methylcarbonimidoyl]-5-(2-fluoro-6-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-ol?
The InChIKey is HNAVMOUOYSUMLC-BRJLIKDPSA-N. The full InChI is InChI=1S/C21H20FN5O2/c1-4-27-11-13(9-24-27)25-12(2)19-14-8-16(23-10-17(14)26-21(19)28)20-15(22)6-5-7-18(20)29-3/h5-11,26,28H,4H2,1-3H3/b25-12+.
What are the key properties of 3-[N-(1-ethylpyrazol-4-yl)-C-methylcarbonimidoyl]-5-(2-fluoro-6-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-ol?
3-[N-(1-ethylpyrazol-4-yl)-C-methylcarbonimidoyl]-5-(2-fluoro-6-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-ol has a molecular weight of 393.42 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-(1-ethylpyrazol-4-yl)-C-methylcarbonimidoyl]-5-(2-fluoro-6-methoxyphenyl)-1H-pyrrolo[2,3-c]pyridin-2-ol is sourced from PubChem (CID 156781868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).