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

C15H19N5O — CID 25020625

IUPAC(E)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(2-pyrrolidin-3-ylethyl)prop-2-enamide
SMILESO=C(/C=C/c1[nH]nc2ncccc12)NCCC1CCNC1
InChIInChI=1S/C15H19N5O/c21-14(17-9-6-11-5-8-16-10-11)4-3-13-12-2-1-7-18-15(12)20-19-13/h1-4,7,11,16H,5-6,8-10H2,(H,17,21)(H,18,19,20)/b4-3+
InChIKeyGBNRYGXJGYVFKW-ONEGZZNKSA-N
MW285.35 g/mol
LogP1.09
Rot. Bonds5

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

(E)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(2-pyrrolidin-3-ylethyl)prop-2-enamide (PubChem CID 25020625) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is (E)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(2-pyrrolidin-3-ylethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(2-pyrrolidin-3-ylethyl)prop-2-enamide
PubChem CID25020625
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name(E)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(2-pyrrolidin-3-ylethyl)prop-2-enamide
SMILESO=C(/C=C/c1[nH]nc2ncccc12)NCCC1CCNC1
InChIInChI=1S/C15H19N5O/c21-14(17-9-6-11-5-8-16-10-11)4-3-13-12-2-1-7-18-15(12)20-19-13/h1-4,7,11,16H,5-6,8-10H2,(H,17,21)(H,18,19,20)/b4-3+
InChIKeyGBNRYGXJGYVFKW-ONEGZZNKSA-N
XLogP1.09
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(2-pyrrolidin-3-ylethyl)prop-2-enamide with MolForge

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Related Compounds

N-[(3-methoxyphenyl)methyl]-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enamide
CID 69136600
2-pyridin-2-yl-N-(2-pyrrolidin-3-ylethyl)acetamide
CID 63630243
N-(2-pyrrolidin-3-ylethyl)quinoline-4-carboxamide
CID 81478211
N-[2-oxo-2-(2-pyrrolidin-3-ylethylamino)ethyl]pyridine-2-carboxamide
CID 119535290
(2S)-2-amino-3-phenyl-N-[(E)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)prop-2-enoyl]propanamide
CID 69135843
2-piperidin-1-yl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
CID 119535955
5-chloro-N-(2-piperidin-3-ylethyl)quinoline-8-carboxamide
CID 119558118
1-hydroxy-N-(2-pyrrolidin-3-ylethyl)naphthalene-2-carboxamide
CID 63622131
N-(2-piperidin-3-ylethyl)-1H-indazole-3-carboxamide
CID 63629056
4-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-3-enal
CID 170482014
2-(4-bromophenoxy)-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
CID 119534807
N-(2-piperidin-4-ylethyl)pyridine-2-carboxamide
CID 21497163

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(2-pyrrolidin-3-ylethyl)prop-2-enamide?
The IUPAC name of (E)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(2-pyrrolidin-3-ylethyl)prop-2-enamide (CID 25020625) is (E)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(2-pyrrolidin-3-ylethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(2-pyrrolidin-3-ylethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(2-pyrrolidin-3-ylethyl)prop-2-enamide is O=C(/C=C/c1[nH]nc2ncccc12)NCCC1CCNC1.
What is the InChIKey of (E)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(2-pyrrolidin-3-ylethyl)prop-2-enamide?
The InChIKey is GBNRYGXJGYVFKW-ONEGZZNKSA-N. The full InChI is InChI=1S/C15H19N5O/c21-14(17-9-6-11-5-8-16-10-11)4-3-13-12-2-1-7-18-15(12)20-19-13/h1-4,7,11,16H,5-6,8-10H2,(H,17,21)(H,18,19,20)/b4-3+.
What are the key properties of (E)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(2-pyrrolidin-3-ylethyl)prop-2-enamide?
(E)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(2-pyrrolidin-3-ylethyl)prop-2-enamide has a molecular weight of 285.35 g/mol, XLogP of 1.09, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)-N-(2-pyrrolidin-3-ylethyl)prop-2-enamide is sourced from PubChem (CID 25020625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).