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

C26H22N8O2 — CID 136944399

IUPAC3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
SMILESc1cc2[nH]c(-c3n[nH]c4cnc(-c5cncc(OC6CCNCC6)c5)cc34)nc2c(-c2ccoc2)n1
InChIInChI=1S/C26H22N8O2/c1-5-27-6-2-17(1)36-18-9-16(11-28-12-18)21-10-19-22(13-30-21)33-34-24(19)26-31-20-3-7-29-23(25(20)32-26)15-4-8-35-14-15/h3-4,7-14,17,27H,1-2,5-6H2,(H,31,32)(H,33,34)
InChIKeyMIRBABTUUJBVHG-UHFFFAOYSA-N
MW478.52 g/mol
LogP4.35
Rot. Bonds5

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

3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 136944399) has the molecular formula C26H22N8O2 and a molecular weight of 478.52 g/mol. Its IUPAC name is 3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
PubChem CID136944399
Molecular FormulaC26H22N8O2
Molecular Weight478.52 g/mol
Exact Mass478.19
IUPAC Name3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
SMILESc1cc2[nH]c(-c3n[nH]c4cnc(-c5cncc(OC6CCNCC6)c5)cc34)nc2c(-c2ccoc2)n1
InChIInChI=1S/C26H22N8O2/c1-5-27-6-2-17(1)36-18-9-16(11-28-12-18)21-10-19-22(13-30-21)33-34-24(19)26-31-20-3-7-29-23(25(20)32-26)15-4-8-35-14-15/h3-4,7-14,17,27H,1-2,5-6H2,(H,31,32)(H,33,34)
InChIKeyMIRBABTUUJBVHG-UHFFFAOYSA-N
XLogP4.35
TPSA130.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (CID 136944399) is 3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is c1cc2[nH]c(-c3n[nH]c4cnc(-c5cncc(OC6CCNCC6)c5)cc34)nc2c(-c2ccoc2)n1.
What is the InChIKey of 3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is MIRBABTUUJBVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N8O2/c1-5-27-6-2-17(1)36-18-9-16(11-28-12-18)21-10-19-22(13-30-21)33-34-24(19)26-31-20-3-7-29-23(25(20)32-26)15-4-8-35-14-15/h3-4,7-14,17,27H,1-2,5-6H2,(H,31,32)(H,33,34).
What are the key properties of 3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 478.52 g/mol, XLogP of 4.35, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 136944399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).