4-[[3-(piperidin-3-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-N-pyridin-2-ylbenzamide

C23H23N7O2 — CID 118623845

IUPAC4-[[3-(piperidin-3-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1ccc(Oc2ccnc3[nH]nc(NC4CCCNC4)c23)cc1
InChIInChI=1S/C23H23N7O2/c31-23(28-19-5-1-2-12-25-19)15-6-8-17(9-7-15)32-18-10-13-26-21-20(18)22(30-29-21)27-16-4-3-11-24-14-16/h1-2,5-10,12-13,16,24H,3-4,11,14H2,(H,25,28,31)(H2,26,27,29,30)
InChIKeySIHFGCWSZXURDP-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.56
Rot. Bonds6

About 4-[[3-(piperidin-3-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-N-pyridin-2-ylbenzamide

4-[[3-(piperidin-3-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-N-pyridin-2-ylbenzamide (PubChem CID 118623845) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 4-[[3-(piperidin-3-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-[[3-(piperidin-3-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-N-pyridin-2-ylbenzamide
PubChem CID118623845
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name4-[[3-(piperidin-3-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1ccc(Oc2ccnc3[nH]nc(NC4CCCNC4)c23)cc1
InChIInChI=1S/C23H23N7O2/c31-23(28-19-5-1-2-12-25-19)15-6-8-17(9-7-15)32-18-10-13-26-21-20(18)22(30-29-21)27-16-4-3-11-24-14-16/h1-2,5-10,12-13,16,24H,3-4,11,14H2,(H,25,28,31)(H2,26,27,29,30)
InChIKeySIHFGCWSZXURDP-UHFFFAOYSA-N
XLogP3.56
TPSA116.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-[[3-(piperidin-3-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-N-pyridin-2-ylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[3-[[(3R)-piperidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 118623608
N-(4-methyl-2-pyridinyl)-4-[[3-[[(3R)-1-(pyridine-2-carbonyl)piperidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]benzamide
CID 118623188
4-(2-methyl-4-phenoxyphenoxy)-N-[(3R)-piperidin-3-yl]-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 118623628
4-[[3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;cyclopropanecarboxylic acid;4-[[3-[[(3R)-pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide;hydrochloride
CID 157171079
N-[(3R)-piperidin-3-yl]-4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]phenoxy]-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 118624583
4-(2-fluorophenoxy)-N-pyrrolidin-3-yl-1H-pyrazolo[3,4-b]pyridin-3-amine
CID 141188398
4-[[3-[[1-(4-methyloxane-4-carbonyl)piperidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-N-(6-methyl-2-pyridinyl)benzamide
CID 118624499
4-[[3-[[1-(1-cyanocyclopropanecarbonyl)piperidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-N-(4-methyl-2-pyridinyl)benzamide
CID 118623440
4-[[3-[[(3R)-1-[(E)-4-[cyclopropyl(methyl)amino]but-2-enoyl]pyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-N-pyrimidin-2-ylbenzamide
CID 118623270
N-(3-methyl-4-propan-2-ylphenyl)-3-[[3-(pyrrolidin-3-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]benzamide
CID 118623345
4-[1-[(4-methoxyphenyl)methyl]-3-(piperidin-3-ylamino)pyrazolo[3,4-b]pyridin-4-yl]oxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 118624570
N-(1,3-benzothiazol-2-yl)-4-[[3-[[1-(1-methylpiperidine-4-carbonyl)piperidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]benzamide
CID 118636042

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(piperidin-3-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-[[3-(piperidin-3-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-N-pyridin-2-ylbenzamide (CID 118623845) is 4-[[3-(piperidin-3-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-[[3-(piperidin-3-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-[[3-(piperidin-3-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-N-pyridin-2-ylbenzamide is O=C(Nc1ccccn1)c1ccc(Oc2ccnc3[nH]nc(NC4CCCNC4)c23)cc1.
What is the InChIKey of 4-[[3-(piperidin-3-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-N-pyridin-2-ylbenzamide?
The InChIKey is SIHFGCWSZXURDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c31-23(28-19-5-1-2-12-25-19)15-6-8-17(9-7-15)32-18-10-13-26-21-20(18)22(30-29-21)27-16-4-3-11-24-14-16/h1-2,5-10,12-13,16,24H,3-4,11,14H2,(H,25,28,31)(H2,26,27,29,30).
What are the key properties of 4-[[3-(piperidin-3-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-N-pyridin-2-ylbenzamide?
4-[[3-(piperidin-3-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-N-pyridin-2-ylbenzamide has a molecular weight of 429.48 g/mol, XLogP of 3.56, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(piperidin-3-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 118623845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).