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

C21H20FN5O — CID 146463517

IUPAC3-[N-(1,5-dimethylpyrazol-3-yl)-C-methylcarbonimidoyl]-5-(2-fluoro-6-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
SMILESC/C(=N\c1cc(C)n(C)n1)c1c(O)[nH]c2cnc(-c3c(C)cccc3F)cc12
InChIInChI=1S/C21H20FN5O/c1-11-6-5-7-15(22)19(11)16-9-14-17(10-23-16)25-21(28)20(14)13(3)24-18-8-12(2)27(4)26-18/h5-10,25,28H,1-4H3/b24-13+
InChIKeyVUPYICJTFSEBKN-ZMOGYAJESA-N
MW377.42 g/mol
LogP4.57
Rot. Bonds3

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

3-[N-(1,5-dimethylpyrazol-3-yl)-C-methylcarbonimidoyl]-5-(2-fluoro-6-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-ol (PubChem CID 146463517) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is 3-[N-(1,5-dimethylpyrazol-3-yl)-C-methylcarbonimidoyl]-5-(2-fluoro-6-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-ol.

Molecular Properties

Compound Name3-[N-(1,5-dimethylpyrazol-3-yl)-C-methylcarbonimidoyl]-5-(2-fluoro-6-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
PubChem CID146463517
Molecular FormulaC21H20FN5O
Molecular Weight377.42 g/mol
Exact Mass377.17
IUPAC Name3-[N-(1,5-dimethylpyrazol-3-yl)-C-methylcarbonimidoyl]-5-(2-fluoro-6-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-ol
SMILESC/C(=N\c1cc(C)n(C)n1)c1c(O)[nH]c2cnc(-c3c(C)cccc3F)cc12
InChIInChI=1S/C21H20FN5O/c1-11-6-5-7-15(22)19(11)16-9-14-17(10-23-16)25-21(28)20(14)13(3)24-18-8-12(2)27(4)26-18/h5-10,25,28H,1-4H3/b24-13+
InChIKeyVUPYICJTFSEBKN-ZMOGYAJESA-N
XLogP4.57
TPSA79.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[N-(1,5-dimethylpyrazol-3-yl)-C-methylcarbonimidoyl]-5-(2-fluoro-6-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-ol?
The IUPAC name of 3-[N-(1,5-dimethylpyrazol-3-yl)-C-methylcarbonimidoyl]-5-(2-fluoro-6-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-ol (CID 146463517) is 3-[N-(1,5-dimethylpyrazol-3-yl)-C-methylcarbonimidoyl]-5-(2-fluoro-6-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-ol.
What is the SMILES notation for 3-[N-(1,5-dimethylpyrazol-3-yl)-C-methylcarbonimidoyl]-5-(2-fluoro-6-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-ol?
The canonical SMILES for 3-[N-(1,5-dimethylpyrazol-3-yl)-C-methylcarbonimidoyl]-5-(2-fluoro-6-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-ol is C/C(=N\c1cc(C)n(C)n1)c1c(O)[nH]c2cnc(-c3c(C)cccc3F)cc12.
What is the InChIKey of 3-[N-(1,5-dimethylpyrazol-3-yl)-C-methylcarbonimidoyl]-5-(2-fluoro-6-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-ol?
The InChIKey is VUPYICJTFSEBKN-ZMOGYAJESA-N. The full InChI is InChI=1S/C21H20FN5O/c1-11-6-5-7-15(22)19(11)16-9-14-17(10-23-16)25-21(28)20(14)13(3)24-18-8-12(2)27(4)26-18/h5-10,25,28H,1-4H3/b24-13+.
What are the key properties of 3-[N-(1,5-dimethylpyrazol-3-yl)-C-methylcarbonimidoyl]-5-(2-fluoro-6-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-ol?
3-[N-(1,5-dimethylpyrazol-3-yl)-C-methylcarbonimidoyl]-5-(2-fluoro-6-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-ol has a molecular weight of 377.42 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-(1,5-dimethylpyrazol-3-yl)-C-methylcarbonimidoyl]-5-(2-fluoro-6-methylphenyl)-1H-pyrrolo[2,3-c]pyridin-2-ol is sourced from PubChem (CID 146463517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).