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

C27H23N9O — CID 136945576

IUPAC2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine
SMILESc1ccc(-c2nccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(OC7CCNCC7)c6)cc45)nc23)nc1
InChIInChI=1S/C27H23N9O/c1-2-7-30-21(3-1)24-25-22(6-10-31-24)33-27(34-25)23-20-12-17(14-32-26(20)36-35-23)16-11-19(15-29-13-16)37-18-4-8-28-9-5-18/h1-3,6-7,10-15,18,28H,4-5,8-9H2,(H,33,34)(H,32,35,36)
InChIKeyIRMLPSHLIBCAJK-UHFFFAOYSA-N
MW489.54 g/mol
LogP4.15
Rot. Bonds5

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

2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine (PubChem CID 136945576) has the molecular formula C27H23N9O and a molecular weight of 489.54 g/mol. Its IUPAC name is 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine
PubChem CID136945576
Molecular FormulaC27H23N9O
Molecular Weight489.54 g/mol
Exact Mass489.20
IUPAC Name2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine
SMILESc1ccc(-c2nccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(OC7CCNCC7)c6)cc45)nc23)nc1
InChIInChI=1S/C27H23N9O/c1-2-7-30-21(3-1)24-25-22(6-10-31-24)33-27(34-25)23-20-12-17(14-32-26(20)36-35-23)16-11-19(15-29-13-16)37-18-4-8-28-9-5-18/h1-3,6-7,10-15,18,28H,4-5,8-9H2,(H,33,34)(H,32,35,36)
InChIKeyIRMLPSHLIBCAJK-UHFFFAOYSA-N
XLogP4.15
TPSA130.18 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.54
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine (CID 136945576) is 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine is c1ccc(-c2nccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(OC7CCNCC7)c6)cc45)nc23)nc1.
What is the InChIKey of 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine?
The InChIKey is IRMLPSHLIBCAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N9O/c1-2-7-30-21(3-1)24-25-22(6-10-31-24)33-27(34-25)23-20-12-17(14-32-26(20)36-35-23)16-11-19(15-29-13-16)37-18-4-8-28-9-5-18/h1-3,6-7,10-15,18,28H,4-5,8-9H2,(H,33,34)(H,32,35,36).
What are the key properties of 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine?
2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine has a molecular weight of 489.54 g/mol, XLogP of 4.15, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-pyridin-2-yl-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136945576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).