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

C17H16N4O2 — CID 69136652

IUPACN-[(4-methoxyphenyl)methyl]-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide
SMILESCOc1ccc(CNC(=O)C=Cc2[nH]nc3ncccc23)cc1
InChIInChI=1S/C17H16N4O2/c1-23-13-6-4-12(5-7-13)11-19-16(22)9-8-15-14-3-2-10-18-17(14)21-20-15/h2-10H,11H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyOYERFMMIJQDSNI-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.30
Rot. Bonds5

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

N-[(4-methoxyphenyl)methyl]-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide (PubChem CID 69136652) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide
PubChem CID69136652
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC NameN-[(4-methoxyphenyl)methyl]-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide
SMILESCOc1ccc(CNC(=O)C=Cc2[nH]nc3ncccc23)cc1
InChIInChI=1S/C17H16N4O2/c1-23-13-6-4-12(5-7-13)11-19-16(22)9-8-15-14-3-2-10-18-17(14)21-20-15/h2-10H,11H2,1H3,(H,19,22)(H,18,20,21)
InChIKeyOYERFMMIJQDSNI-UHFFFAOYSA-N
XLogP2.30
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-methoxyphenyl)methyl]-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide
CID 69136600
N-benzyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide
CID 69137142
(E)-3-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 7772448
N-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)prop-2-enamide
CID 4103426
(E)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(2-pyrrolidin-3-ylethyl)prop-2-enamide
CID 25020625
1-[(4-methoxyphenyl)methyl]-3-(3-methyl-2-pyridinyl)urea
CID 47235934
(2S)-3-phenyl-2-[3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enoylamino]propanamide
CID 91131589
(E)-N-[(4-bromophenyl)methyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 61400451
(E)-N-[(4-methoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 6064379
N-[(4-methoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 4307222
N-[(4-methoxyphenyl)methyl]-2-pyridin-3-yloxyacetamide
CID 110487955
1-[(4-methoxyphenyl)methyl]-3-[(2-methoxy-3-pyridinyl)methyl]urea
CID 53184866

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide (CID 69136652) is N-[(4-methoxyphenyl)methyl]-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide is COc1ccc(CNC(=O)C=Cc2[nH]nc3ncccc23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide?
The InChIKey is OYERFMMIJQDSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-23-13-6-4-12(5-7-13)11-19-16(22)9-8-15-14-3-2-10-18-17(14)21-20-15/h2-10H,11H2,1H3,(H,19,22)(H,18,20,21).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide?
N-[(4-methoxyphenyl)methyl]-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide has a molecular weight of 308.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide is sourced from PubChem (CID 69136652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).