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

C28H19N7O2 — CID 136944403

IUPAC3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
SMILESc1ccc(COc2cncc(-c3cc4c(-c5nc6c(-c7ccoc7)nccc6[nH]5)n[nH]c4cn3)c2)cc1
InChIInChI=1S/C28H19N7O2/c1-2-4-17(5-3-1)15-37-20-10-19(12-29-13-20)23-11-21-24(14-31-23)34-35-26(21)28-32-22-6-8-30-25(27(22)33-28)18-7-9-36-16-18/h1-14,16H,15H2,(H,32,33)(H,34,35)
InChIKeySIICTABPGIVWCT-UHFFFAOYSA-N
MW485.51 g/mol
LogP5.80
Rot. Bonds6

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

3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 136944403) has the molecular formula C28H19N7O2 and a molecular weight of 485.51 g/mol. Its IUPAC name is 3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-phenylmethoxy-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-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
PubChem CID136944403
Molecular FormulaC28H19N7O2
Molecular Weight485.51 g/mol
Exact Mass485.16
IUPAC Name3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
SMILESc1ccc(COc2cncc(-c3cc4c(-c5nc6c(-c7ccoc7)nccc6[nH]5)n[nH]c4cn3)c2)cc1
InChIInChI=1S/C28H19N7O2/c1-2-4-17(5-3-1)15-37-20-10-19(12-29-13-20)23-11-21-24(14-31-23)34-35-26(21)28-32-22-6-8-30-25(27(22)33-28)18-7-9-36-16-18/h1-14,16H,15H2,(H,32,33)(H,34,35)
InChIKeySIICTABPGIVWCT-UHFFFAOYSA-N
XLogP5.80
TPSA118.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.51
LogP ≤ 55.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-phenylmethoxy-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-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (CID 136944403) is 3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-phenylmethoxy-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-phenylmethoxy-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-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is c1ccc(COc2cncc(-c3cc4c(-c5nc6c(-c7ccoc7)nccc6[nH]5)n[nH]c4cn3)c2)cc1.
What is the InChIKey of 3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is SIICTABPGIVWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N7O2/c1-2-4-17(5-3-1)15-37-20-10-19(12-29-13-20)23-11-21-24(14-31-23)34-35-26(21)28-32-22-6-8-30-25(27(22)33-28)18-7-9-36-16-18/h1-14,16H,15H2,(H,32,33)(H,34,35).
What are the key properties of 3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 485.51 g/mol, XLogP of 5.80, 6 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-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 136944403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).