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

C22H15N7O2 — CID 136944417

IUPAC3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
SMILESCOc1cncc(-c2cc3c(-c4nc5c(-c6ccoc6)nccc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C22H15N7O2/c1-30-14-6-13(8-23-9-14)17-7-15-18(10-25-17)28-29-20(15)22-26-16-2-4-24-19(21(16)27-22)12-3-5-31-11-12/h2-11H,1H3,(H,26,27)(H,28,29)
InChIKeyXREPFJMPGXDAHQ-UHFFFAOYSA-N
MW409.41 g/mol
LogP4.23
Rot. Bonds4

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

3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 136944417) has the molecular formula C22H15N7O2 and a molecular weight of 409.41 g/mol. Its IUPAC name is 3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-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-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
PubChem CID136944417
Molecular FormulaC22H15N7O2
Molecular Weight409.41 g/mol
Exact Mass409.13
IUPAC Name3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
SMILESCOc1cncc(-c2cc3c(-c4nc5c(-c6ccoc6)nccc5[nH]4)n[nH]c3cn2)c1
InChIInChI=1S/C22H15N7O2/c1-30-14-6-13(8-23-9-14)17-7-15-18(10-25-17)28-29-20(15)22-26-16-2-4-24-19(21(16)27-22)12-3-5-31-11-12/h2-11H,1H3,(H,26,27)(H,28,29)
InChIKeyXREPFJMPGXDAHQ-UHFFFAOYSA-N
XLogP4.23
TPSA118.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 54.23
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-methoxy-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-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine (CID 136944417) is 3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-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-methoxy-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-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is COc1cncc(-c2cc3c(-c4nc5c(-c6ccoc6)nccc5[nH]4)n[nH]c3cn2)c1.
What is the InChIKey of 3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is XREPFJMPGXDAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N7O2/c1-30-14-6-13(8-23-9-14)17-7-15-18(10-25-17)28-29-20(15)22-26-16-2-4-24-19(21(16)27-22)12-3-5-31-11-12/h2-11H,1H3,(H,26,27)(H,28,29).
What are the key properties of 3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine?
3-[4-(furan-3-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 409.41 g/mol, XLogP of 4.23, 4 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-methoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 136944417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).