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

C27H24N8O — CID 137088235

IUPAC3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
SMILESc1cc2[nH]c(-c3n[nH]c4ccc(-c5cncc(CN6CCCCC6)c5)nc34)nc2c(-c2ccoc2)n1
InChIInChI=1S/C27H24N8O/c1-2-9-35(10-3-1)15-17-12-19(14-28-13-17)20-4-5-22-25(30-20)26(34-33-22)27-31-21-6-8-29-23(24(21)32-27)18-7-11-36-16-18/h4-8,11-14,16H,1-3,9-10,15H2,(H,31,32)(H,33,34)
InChIKeyGJRNOXLDHLFNDO-UHFFFAOYSA-N
MW476.54 g/mol
LogP5.20
Rot. Bonds5

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

3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137088235) has the molecular formula C27H24N8O and a molecular weight of 476.54 g/mol. Its IUPAC name is 3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
PubChem CID137088235
Molecular FormulaC27H24N8O
Molecular Weight476.54 g/mol
Exact Mass476.21
IUPAC Name3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
SMILESc1cc2[nH]c(-c3n[nH]c4ccc(-c5cncc(CN6CCCCC6)c5)nc34)nc2c(-c2ccoc2)n1
InChIInChI=1S/C27H24N8O/c1-2-9-35(10-3-1)15-17-12-19(14-28-13-17)20-4-5-22-25(30-20)26(34-33-22)27-31-21-6-8-29-23(24(21)32-27)18-7-11-36-16-18/h4-8,11-14,16H,1-3,9-10,15H2,(H,31,32)(H,33,34)
InChIKeyGJRNOXLDHLFNDO-UHFFFAOYSA-N
XLogP5.20
TPSA112.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.54
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]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-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine?
The IUPAC name of 3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine (CID 137088235) is 3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine?
The canonical SMILES for 3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine is c1cc2[nH]c(-c3n[nH]c4ccc(-c5cncc(CN6CCCCC6)c5)nc34)nc2c(-c2ccoc2)n1.
What is the InChIKey of 3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine?
The InChIKey is GJRNOXLDHLFNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N8O/c1-2-9-35(10-3-1)15-17-12-19(14-28-13-17)20-4-5-22-25(30-20)26(34-33-22)27-31-21-6-8-29-23(24(21)32-27)18-7-11-36-16-18/h4-8,11-14,16H,1-3,9-10,15H2,(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-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine?
3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 476.54 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 7 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-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137088235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).