N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide

C16H14N4O — CID 139018825

IUPACN-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide
SMILESC=CC(=O)Nc1cnc2c(c1)c(C)nn2-c1ccccc1
InChIInChI=1S/C16H14N4O/c1-3-15(21)18-12-9-14-11(2)19-20(16(14)17-10-12)13-7-5-4-6-8-13/h3-10H,1H2,2H3,(H,18,21)
InChIKeyWXZBVGAEXGEHKY-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.85
Rot. Bonds3

About N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide

N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide (PubChem CID 139018825) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide
PubChem CID139018825
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC NameN-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide
SMILESC=CC(=O)Nc1cnc2c(c1)c(C)nn2-c1ccccc1
InChIInChI=1S/C16H14N4O/c1-3-15(21)18-12-9-14-11(2)19-20(16(14)17-10-12)13-7-5-4-6-8-13/h3-10H,1H2,2H3,(H,18,21)
InChIKeyWXZBVGAEXGEHKY-UHFFFAOYSA-N
XLogP2.85
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)urea
CID 139016323
N-[3-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazolo[5,4-b]pyridin-5-yl]prop-2-enamide
CID 169173121
N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)octadecanamide
CID 108730069
4-fluoro-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 108753718
(E)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 108753787
N-[1-(4,5-dichloro-2-methylphenyl)-3-methylpyrazolo[5,4-b]pyridin-5-yl]prop-2-enamide
CID 169173142
5-methyl-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)-1-phenylpyrazole-4-carboxamide
CID 108730123
3-hydroxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)cyclobutane-1-carboxamide
CID 136587863
2,3,6-trichloro-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 108730037
(E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide
CID 134024963
4-ethoxy-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)benzamide
CID 108753755
4-(4-methoxyphenoxy)-N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)butanamide
CID 108753832

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide?
The IUPAC name of N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide (CID 139018825) is N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide.
What is the SMILES notation for N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide?
The canonical SMILES for N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide is C=CC(=O)Nc1cnc2c(c1)c(C)nn2-c1ccccc1.
What is the InChIKey of N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide?
The InChIKey is WXZBVGAEXGEHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-3-15(21)18-12-9-14-11(2)19-20(16(14)17-10-12)13-7-5-4-6-8-13/h3-10H,1H2,2H3,(H,18,21).
What are the key properties of N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide?
N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide has a molecular weight of 278.32 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1-phenylpyrazolo[5,4-b]pyridin-5-yl)prop-2-enamide is sourced from PubChem (CID 139018825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).