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

C27H23N9O — CID 136945555

IUPAC2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine
SMILESc1cc(-c2nccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(OC7CCNCC7)c6)cc45)nc23)ccn1
InChIInChI=1S/C27H23N9O/c1-6-28-7-2-16(1)23-25-22(5-10-31-23)33-27(34-25)24-21-12-18(14-32-26(21)36-35-24)17-11-20(15-30-13-17)37-19-3-8-29-9-4-19/h1-2,5-7,10-15,19,29H,3-4,8-9H2,(H,33,34)(H,32,35,36)
InChIKeyREPVQVHGSPFJQG-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-4-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-4-yl-1H-imidazo[4,5-c]pyridine (PubChem CID 136945555) 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-4-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-4-yl-1H-imidazo[4,5-c]pyridine
PubChem CID136945555
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-4-yl-1H-imidazo[4,5-c]pyridine
SMILESc1cc(-c2nccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(OC7CCNCC7)c6)cc45)nc23)ccn1
InChIInChI=1S/C27H23N9O/c1-6-28-7-2-16(1)23-25-22(5-10-31-23)33-27(34-25)24-21-12-18(14-32-26(21)36-35-24)17-11-20(15-30-13-17)37-19-3-8-29-9-4-19/h1-2,5-7,10-15,19,29H,3-4,8-9H2,(H,33,34)(H,32,35,36)
InChIKeyREPVQVHGSPFJQG-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-4-yl-1H-imidazo[4,5-c]pyridine with MolForge

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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-4-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-4-yl-1H-imidazo[4,5-c]pyridine (CID 136945555) is 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-pyridin-4-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-4-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-4-yl-1H-imidazo[4,5-c]pyridine is c1cc(-c2nccc3[nH]c(-c4[nH]nc5ncc(-c6cncc(OC7CCNCC7)c6)cc45)nc23)ccn1.
What is the InChIKey of 2-[5-(5-piperidin-4-yloxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-pyridin-4-yl-1H-imidazo[4,5-c]pyridine?
The InChIKey is REPVQVHGSPFJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N9O/c1-6-28-7-2-16(1)23-25-22(5-10-31-23)33-27(34-25)24-21-12-18(14-32-26(21)36-35-24)17-11-20(15-30-13-17)37-19-3-8-29-9-4-19/h1-2,5-7,10-15,19,29H,3-4,8-9H2,(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-4-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-4-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-4-yl-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136945555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).