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

C28H24N8O — CID 137038436

IUPAC5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESc1ccc(-c2ccnc3[nH]c(-c4[nH]nc5ncc(-c6cncc(OC7CCNCC7)c6)cc45)cc23)nc1
InChIInChI=1S/C28H24N8O/c1-2-7-31-24(3-1)21-6-10-32-27-22(21)13-25(34-27)26-23-12-18(15-33-28(23)36-35-26)17-11-20(16-30-14-17)37-19-4-8-29-9-5-19/h1-3,6-7,10-16,19,29H,4-5,8-9H2,(H,32,34)(H,33,35,36)
InChIKeyLZBJWKMCQJRCPX-UHFFFAOYSA-N
MW488.56 g/mol
LogP4.76
Rot. Bonds5

About 5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-pyridin-2-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-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137038436) 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-2-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-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID137038436
Molecular FormulaC28H24N8O
Molecular Weight488.56 g/mol
Exact Mass488.21
IUPAC Name5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESc1ccc(-c2ccnc3[nH]c(-c4[nH]nc5ncc(-c6cncc(OC7CCNCC7)c6)cc45)cc23)nc1
InChIInChI=1S/C28H24N8O/c1-2-7-31-24(3-1)21-6-10-32-27-22(21)13-25(34-27)26-23-12-18(15-33-28(23)36-35-26)17-11-20(16-30-14-17)37-19-4-8-29-9-5-19/h1-3,6-7,10-16,19,29H,4-5,8-9H2,(H,32,34)(H,33,35,36)
InChIKeyLZBJWKMCQJRCPX-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-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-pyridin-2-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-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine (CID 137038436) is 5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-pyridin-2-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-2-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-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine is c1ccc(-c2ccnc3[nH]c(-c4[nH]nc5ncc(-c6cncc(OC7CCNCC7)c6)cc45)cc23)nc1.
What is the InChIKey of 5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is LZBJWKMCQJRCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N8O/c1-2-7-31-24(3-1)21-6-10-32-27-22(21)13-25(34-27)26-23-12-18(15-33-28(23)36-35-26)17-11-20(16-30-14-17)37-19-4-8-29-9-5-19/h1-3,6-7,10-16,19,29H,4-5,8-9H2,(H,32,34)(H,33,35,36).
What are the key properties of 5-(5-piperidin-4-yloxy-3-pyridinyl)-3-(4-pyridin-2-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-2-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-2-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137038436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).