2-fluoro-N-[3-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)phenyl]prop-2-enamide

C16H13FN4O — CID 162526726

IUPAC2-fluoro-N-[3-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)phenyl]prop-2-enamide
SMILESC=C(F)C(=O)Nc1cccc(-c2cc3c(C)[nH]nc3cn2)c1
InChIInChI=1S/C16H13FN4O/c1-9(17)16(22)19-12-5-3-4-11(6-12)14-7-13-10(2)20-21-15(13)8-18-14/h3-8H,1H2,2H3,(H,19,22)(H,20,21)
InChIKeyPJOSMEGDWGXUIO-UHFFFAOYSA-N
MW296.31 g/mol
LogP3.36
Rot. Bonds3

About 2-fluoro-N-[3-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)phenyl]prop-2-enamide

2-fluoro-N-[3-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)phenyl]prop-2-enamide (PubChem CID 162526726) has the molecular formula C16H13FN4O and a molecular weight of 296.31 g/mol. Its IUPAC name is 2-fluoro-N-[3-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name2-fluoro-N-[3-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)phenyl]prop-2-enamide
PubChem CID162526726
Molecular FormulaC16H13FN4O
Molecular Weight296.31 g/mol
Exact Mass296.11
IUPAC Name2-fluoro-N-[3-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)phenyl]prop-2-enamide
SMILESC=C(F)C(=O)Nc1cccc(-c2cc3c(C)[nH]nc3cn2)c1
InChIInChI=1S/C16H13FN4O/c1-9(17)16(22)19-12-5-3-4-11(6-12)14-7-13-10(2)20-21-15(13)8-18-14/h3-8H,1H2,2H3,(H,19,22)(H,20,21)
InChIKeyPJOSMEGDWGXUIO-UHFFFAOYSA-N
XLogP3.36
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[3-(2-fluoroprop-2-enoylamino)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 71599414
N-[2-(3-methyl-2H-indazol-5-yl)-4-pyridinyl]prop-2-enamide;molecular hydrogen
CID 162526966
[3-(2-oxo-1H-pyrimidin-5-yl)phenyl]carbamic acid
CID 146525132
N-[3-(4-methyl-2-pyridinyl)phenyl]acetamide
CID 143373898
N-(3-fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582601
N-(3-methyl-2H-indazol-5-yl)thiophene-2-carboxamide
CID 123632210
[3-(2H-triazol-4-yl)phenyl]carbamic acid
CID 69051190
6-(3-acetamidophenyl)pyridine-3-carboxylic acid
CID 53223644
ethane;2-fluoro-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide
CID 144735542
N-[3-(5-methyl-1H-pyrazol-3-yl)phenyl]pyridine-3-carboxamide
CID 110732494
2-[[7-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)-3-oxo-1H-isoindol-2-yl]methyl]prop-2-enenitrile
CID 162528289
N-[3-(2,3-dimethyl-1H-pyrazolo[5,4-b]pyridin-2-ium-5-yl)phenyl]acetamide
CID 123439510

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)phenyl]prop-2-enamide?
The IUPAC name of 2-fluoro-N-[3-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)phenyl]prop-2-enamide (CID 162526726) is 2-fluoro-N-[3-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)phenyl]prop-2-enamide.
What is the SMILES notation for 2-fluoro-N-[3-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)phenyl]prop-2-enamide?
The canonical SMILES for 2-fluoro-N-[3-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)phenyl]prop-2-enamide is C=C(F)C(=O)Nc1cccc(-c2cc3c(C)[nH]nc3cn2)c1.
What is the InChIKey of 2-fluoro-N-[3-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)phenyl]prop-2-enamide?
The InChIKey is PJOSMEGDWGXUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O/c1-9(17)16(22)19-12-5-3-4-11(6-12)14-7-13-10(2)20-21-15(13)8-18-14/h3-8H,1H2,2H3,(H,19,22)(H,20,21).
What are the key properties of 2-fluoro-N-[3-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)phenyl]prop-2-enamide?
2-fluoro-N-[3-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)phenyl]prop-2-enamide has a molecular weight of 296.31 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-(3-methyl-2H-pyrazolo[3,4-c]pyridin-5-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 162526726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).