4-[1-(1H-imidazol-2-yl)ethyl]-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide

C18H16N6O — CID 22120587

IUPAC4-[1-(1H-imidazol-2-yl)ethyl]-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
SMILESCC(c1ccc(C(=O)Nc2ccnc3[nH]ncc23)cc1)c1ncc[nH]1
InChIInChI=1S/C18H16N6O/c1-11(16-20-8-9-21-16)12-2-4-13(5-3-12)18(25)23-15-6-7-19-17-14(15)10-22-24-17/h2-11H,1H3,(H,20,21)(H2,19,22,23,24,25)
InChIKeyGIWOYTKLBUNURZ-UHFFFAOYSA-N
MW332.37 g/mol
LogP3.09
Rot. Bonds4

About 4-[1-(1H-imidazol-2-yl)ethyl]-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide

4-[1-(1H-imidazol-2-yl)ethyl]-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide (PubChem CID 22120587) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 4-[1-(1H-imidazol-2-yl)ethyl]-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide.

Molecular Properties

Compound Name4-[1-(1H-imidazol-2-yl)ethyl]-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
PubChem CID22120587
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name4-[1-(1H-imidazol-2-yl)ethyl]-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
SMILESCC(c1ccc(C(=O)Nc2ccnc3[nH]ncc23)cc1)c1ncc[nH]1
InChIInChI=1S/C18H16N6O/c1-11(16-20-8-9-21-16)12-2-4-13(5-3-12)18(25)23-15-6-7-19-17-14(15)10-22-24-17/h2-11H,1H3,(H,20,21)(H2,19,22,23,24,25)
InChIKeyGIWOYTKLBUNURZ-UHFFFAOYSA-N
XLogP3.09
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-amino-2-hydroxyethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide;dihydrobromide
CID 142654986
4-nitro-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
CID 76849006
4-(1-aminoethyl)-2-methyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
CID 22120471
4-(2-aminoethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
CID 70270729
4-(2-aminoethyl)-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide;dihydrochloride
CID 70270728
N-(1H-pyrazolo[3,4-b]pyridin-4-yl)-4-[(pyrimidin-2-ylamino)methyl]benzamide
CID 22120458
4-[(diaminomethylideneamino)methyl]-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide;hydrate;dihydrochloride
CID 22120499
4-[(1R)-1-aminoethyl]-3-cyano-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
CID 54159456
4-[1-amino-2-(benzylamino)-2-oxoethyl]-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
CID 15982632
4-(aminomethyl)-3,5-dimethyl-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
CID 22120510
4-[[[amino(ethylamino)methylidene]amino]methyl]-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
CID 22120634
4-[[(N,N'-dimethylcarbamimidoyl)amino]methyl]-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide
CID 22120519

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1H-imidazol-2-yl)ethyl]-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide?
The IUPAC name of 4-[1-(1H-imidazol-2-yl)ethyl]-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide (CID 22120587) is 4-[1-(1H-imidazol-2-yl)ethyl]-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide.
What is the SMILES notation for 4-[1-(1H-imidazol-2-yl)ethyl]-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide?
The canonical SMILES for 4-[1-(1H-imidazol-2-yl)ethyl]-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide is CC(c1ccc(C(=O)Nc2ccnc3[nH]ncc23)cc1)c1ncc[nH]1.
What is the InChIKey of 4-[1-(1H-imidazol-2-yl)ethyl]-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide?
The InChIKey is GIWOYTKLBUNURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-11(16-20-8-9-21-16)12-2-4-13(5-3-12)18(25)23-15-6-7-19-17-14(15)10-22-24-17/h2-11H,1H3,(H,20,21)(H2,19,22,23,24,25).
What are the key properties of 4-[1-(1H-imidazol-2-yl)ethyl]-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide?
4-[1-(1H-imidazol-2-yl)ethyl]-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide has a molecular weight of 332.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1H-imidazol-2-yl)ethyl]-N-(1H-pyrazolo[3,4-b]pyridin-4-yl)benzamide is sourced from PubChem (CID 22120587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).