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

C29H26N8 — CID 137034346

IUPAC5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESc1cncc(-c2ccnc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CN7CCCCC7)c6)cc45)cc23)c1
InChIInChI=1S/C29H26N8/c1-2-9-37(10-3-1)18-19-11-21(16-31-14-19)22-12-25-27(35-36-29(25)33-17-22)26-13-24-23(6-8-32-28(24)34-26)20-5-4-7-30-15-20/h4-8,11-17H,1-3,9-10,18H2,(H,32,34)(H,33,35,36)
InChIKeyOLBDNEBUSBYBHZ-UHFFFAOYSA-N
MW486.58 g/mol
LogP5.61
Rot. Bonds5

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

5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137034346) has the molecular formula C29H26N8 and a molecular weight of 486.58 g/mol. Its IUPAC name is 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID137034346
Molecular FormulaC29H26N8
Molecular Weight486.58 g/mol
Exact Mass486.23
IUPAC Name5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESc1cncc(-c2ccnc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CN7CCCCC7)c6)cc45)cc23)c1
InChIInChI=1S/C29H26N8/c1-2-9-37(10-3-1)18-19-11-21(16-31-14-19)22-12-25-27(35-36-29(25)33-17-22)26-13-24-23(6-8-32-28(24)34-26)20-5-4-7-30-15-20/h4-8,11-17H,1-3,9-10,18H2,(H,32,34)(H,33,35,36)
InChIKeyOLBDNEBUSBYBHZ-UHFFFAOYSA-N
XLogP5.61
TPSA99.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.58
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-3-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-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine (CID 137034346) is 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine is c1cncc(-c2ccnc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CN7CCCCC7)c6)cc45)cc23)c1.
What is the InChIKey of 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is OLBDNEBUSBYBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N8/c1-2-9-37(10-3-1)18-19-11-21(16-31-14-19)22-12-25-27(35-36-29(25)33-17-22)26-13-24-23(6-8-32-28(24)34-26)20-5-4-7-30-15-20/h4-8,11-17H,1-3,9-10,18H2,(H,32,34)(H,33,35,36).
What are the key properties of 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine?
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 486.58 g/mol, XLogP of 5.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137034346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).