5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine

C28H24N8O — CID 137038310

IUPAC5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESc1cc(-c2ccnc3[nH]c(-c4[nH]nc5ncc(-c6cncc(OC7CCNCC7)c6)cc45)cc23)ccn1
InChIInChI=1S/C28H24N8O/c1-6-29-7-2-17(1)22-5-10-32-27-23(22)13-25(34-27)26-24-12-19(15-33-28(24)36-35-26)18-11-21(16-31-14-18)37-20-3-8-30-9-4-20/h1-2,5-7,10-16,20,30H,3-4,8-9H2,(H,32,34)(H,33,35,36)
InChIKeyJTYICHMZCMSVIU-UHFFFAOYSA-N
MW488.56 g/mol
LogP4.76
Rot. Bonds5

About 5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine

5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137038310) has the molecular formula C28H24N8O and a molecular weight of 488.56 g/mol. Its IUPAC name is 5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID137038310
Molecular FormulaC28H24N8O
Molecular Weight488.56 g/mol
Exact Mass488.21
IUPAC Name5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESc1cc(-c2ccnc3[nH]c(-c4[nH]nc5ncc(-c6cncc(OC7CCNCC7)c6)cc45)cc23)ccn1
InChIInChI=1S/C28H24N8O/c1-6-29-7-2-17(1)22-5-10-32-27-23(22)13-25(34-27)26-24-12-19(15-33-28(24)36-35-26)18-11-21(16-31-14-18)37-20-3-8-30-9-4-20/h1-2,5-7,10-16,20,30H,3-4,8-9H2,(H,32,34)(H,33,35,36)
InChIKeyJTYICHMZCMSVIU-UHFFFAOYSA-N
XLogP4.76
TPSA117.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.56
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine with MolForge

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Related Compounds

Migoprotafib
CID 139512018
N-((5-(3-(5-methoxy-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)pyridin-3-yl)methyl)ethanamine
CID 135497841
Ly-2880070
CID 56968075
(S)-1-(1H-indol-3-yl)-3-(5-(3-morpholino-1H-indazol-5-yl)pyridin-3-yloxy)propan-2-amine
CID 10238690
1-(2-{[4-({3-methyl-4-[(6-methylpyridin-3-yl)oxy]phenyl}amino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]oxy}ethyl)piperidin-4-ol
CID 11712609
7-cyclohexyl-6-[4-(4-pyridylmethoxy)phenyl]-3-(1H-tetrazol-5-yl)pyrazolo[1,5-a]pyrimidine
CID 15958078
1-{2-[(4-{[3-methyl-4-(pyridin-2-ylmethoxy)phenyl]amino}-1H-pyrazolo[3,4-d]pyrimidin-3-yl)oxy]ethyl}piperidin-4-ol
CID 44455330
6-[5-(6-methyl-2-pyridinyl)-2-(phenoxymethyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 54766018
4-[6-[4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-pyridinyl]morpholine
CID 56942076
3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-6-(2-methoxy-3-pyridinyl)-N-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-2-amine
CID 62706159
N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-(1H-pyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
CID 68290829
1-[5-[3-(6-methoxy-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N-methylmethanamine
CID 135497835

Frequently Asked Questions

What is the IUPAC name of 5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine (CID 137038310) is 5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine is c1cc(-c2ccnc3[nH]c(-c4[nH]nc5ncc(-c6cncc(OC7CCNCC7)c6)cc45)cc23)ccn1.
What is the InChIKey of 5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is JTYICHMZCMSVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N8O/c1-6-29-7-2-17(1)22-5-10-32-27-23(22)13-25(34-27)26-24-12-19(15-33-28(24)36-35-26)18-11-21(16-31-14-18)37-20-3-8-30-9-4-20/h1-2,5-7,10-16,20,30H,3-4,8-9H2,(H,32,34)(H,33,35,36).
What are the key properties of 5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine?
5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 488.56 g/mol, XLogP of 4.76, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137038310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).