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

C24H24FN5O3 — CID 156781798

IUPAC5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol
SMILESCOc1cccc(F)c1-c1cc2c(/C(C)=N/c3cnn(C4CCOCC4)c3)c(O)[nH]c2cn1
InChIInChI=1S/C24H24FN5O3/c1-14(28-15-11-27-30(13-15)16-6-8-33-9-7-16)22-17-10-19(26-12-20(17)29-24(22)31)23-18(25)4-3-5-21(23)32-2/h3-5,10-13,16,29,31H,6-9H2,1-2H3/b28-14+
InChIKeyCOQKALKOHUECHA-CCVNUDIWSA-N
MW449.49 g/mol
LogP4.77
Rot. Bonds5

About 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

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 (PubChem CID 156781798) has the molecular formula C24H24FN5O3 and a molecular weight of 449.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol
PubChem CID156781798
Molecular FormulaC24H24FN5O3
Molecular Weight449.49 g/mol
Exact Mass449.19
IUPAC Name5-(2-fluoro-6-methoxyphenyl)-3-[C-methyl-N-[1-(oxan-4-yl)pyrazol-4-yl]carbonimidoyl]-1H-pyrrolo[2,3-c]pyridin-2-ol
SMILESCOc1cccc(F)c1-c1cc2c(/C(C)=N/c3cnn(C4CCOCC4)c3)c(O)[nH]c2cn1
InChIInChI=1S/C24H24FN5O3/c1-14(28-15-11-27-30(13-15)16-6-8-33-9-7-16)22-17-10-19(26-12-20(17)29-24(22)31)23-18(25)4-3-5-21(23)32-2/h3-5,10-13,16,29,31H,6-9H2,1-2H3/b28-14+
InChIKeyCOQKALKOHUECHA-CCVNUDIWSA-N
XLogP4.77
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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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
(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-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
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
5-bromo-3-[C-ethyl-N-[1-(oxan-4-yl)pyrazol-4-yl]carbonimidoyl]-1H-indol-2-ol
CID 170980450
3-[N-(1,5-dimethylpyrazol-3-yl)-C-methylcarbonimidoyl]-5-(2-fluoro-6-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
CID 146463517
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
5-(2-fluoro-6-methoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-c]pyridine
CID 134327883
4-fluoro-N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]benzamide
CID 134328024
1-[2-[[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]amino]-5-[1-(oxan-4-yl)pyrazol-4-yl]-4-pyridinyl]piperidine-3-carboxamide
CID 172626286

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cccc(F)c1-c1cc2c(/C(C)=N/c3cnn(C4CCOCC4)c3)c(O)[nH]c2cn1.
What is the InChIKey of 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?
The InChIKey is COQKALKOHUECHA-CCVNUDIWSA-N. The full InChI is InChI=1S/C24H24FN5O3/c1-14(28-15-11-27-30(13-15)16-6-8-33-9-7-16)22-17-10-19(26-12-20(17)29-24(22)31)23-18(25)4-3-5-21(23)32-2/h3-5,10-13,16,29,31H,6-9H2,1-2H3/b28-14+.
What are the key properties of 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?
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 has a molecular weight of 449.49 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 156781798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).