N-benzyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide

C16H14N4O — CID 69137142

IUPACN-benzyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide
SMILESO=C(C=Cc1[nH]nc2ncccc12)NCc1ccccc1
InChIInChI=1S/C16H14N4O/c21-15(18-11-12-5-2-1-3-6-12)9-8-14-13-7-4-10-17-16(13)20-19-14/h1-10H,11H2,(H,18,21)(H,17,19,20)
InChIKeyYBWRSSXUBAVKPU-UHFFFAOYSA-N
MW278.32 g/mol
LogP2.29
Rot. Bonds4

About N-benzyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide

N-benzyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide (PubChem CID 69137142) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is N-benzyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-benzyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide
PubChem CID69137142
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC NameN-benzyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide
SMILESO=C(C=Cc1[nH]nc2ncccc12)NCc1ccccc1
InChIInChI=1S/C16H14N4O/c21-15(18-11-12-5-2-1-3-6-12)9-8-14-13-7-4-10-17-16(13)20-19-14/h1-10H,11H2,(H,18,21)(H,17,19,20)
InChIKeyYBWRSSXUBAVKPU-UHFFFAOYSA-N
XLogP2.29
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.29
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

N-[(4-methoxyphenyl)methyl]-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide
CID 69136652
N-[(3-methoxyphenyl)methyl]-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide
CID 69136600
(2S)-2-amino-3-phenyl-N-[(E)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enoyl]propanamide
CID 69135843
(2S)-3-phenyl-2-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enoylamino]propanamide
CID 91131589
(E)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(2-pyrrolidin-3-ylethyl)prop-2-enamide
CID 25020625
(E)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide
CID 25020781
ethyl 3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enoate
CID 76681112
3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-en-1-amine
CID 169463700
4-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-3-enal
CID 170482014
(2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide
CID 102438932
N-benzyl-2-(5-bromo-1-methylindol-3-yl)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide
CID 69136728
3-[(3-pyridin-2-ylprop-2-enoylamino)methyl]benzoic acid
CID 126802887

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide?
The IUPAC name of N-benzyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide (CID 69137142) is N-benzyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide.
What is the SMILES notation for N-benzyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide?
The canonical SMILES for N-benzyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide is O=C(C=Cc1[nH]nc2ncccc12)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide?
The InChIKey is YBWRSSXUBAVKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c21-15(18-11-12-5-2-1-3-6-12)9-8-14-13-7-4-10-17-16(13)20-19-14/h1-10H,11H2,(H,18,21)(H,17,19,20).
What are the key properties of N-benzyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide?
N-benzyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide has a molecular weight of 278.32 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide is sourced from PubChem (CID 69137142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).