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

C29H20N6O2 — CID 136936927

IUPAC4-(furan-3-yl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
SMILESc1ccc(COc2cncc(-c3ccc4[nH]nc(-c5nc6c(-c7ccoc7)nccc6[nH]5)c4c3)c2)cc1
InChIInChI=1S/C29H20N6O2/c1-2-4-18(5-3-1)16-37-22-12-21(14-30-15-22)19-6-7-24-23(13-19)27(35-34-24)29-32-25-8-10-31-26(28(25)33-29)20-9-11-36-17-20/h1-15,17H,16H2,(H,32,33)(H,34,35)
InChIKeyKWSQYNZQONRURT-UHFFFAOYSA-N
MW484.52 g/mol
LogP6.40
Rot. Bonds6

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

4-(furan-3-yl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (PubChem CID 136936927) has the molecular formula C29H20N6O2 and a molecular weight of 484.52 g/mol. Its IUPAC name is 4-(furan-3-yl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(furan-3-yl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
PubChem CID136936927
Molecular FormulaC29H20N6O2
Molecular Weight484.52 g/mol
Exact Mass484.16
IUPAC Name4-(furan-3-yl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
SMILESc1ccc(COc2cncc(-c3ccc4[nH]nc(-c5nc6c(-c7ccoc7)nccc6[nH]5)c4c3)c2)cc1
InChIInChI=1S/C29H20N6O2/c1-2-4-18(5-3-1)16-37-22-12-21(14-30-15-22)19-6-7-24-23(13-19)27(35-34-24)29-32-25-8-10-31-26(28(25)33-29)20-9-11-36-17-20/h1-15,17H,16H2,(H,32,33)(H,34,35)
InChIKeyKWSQYNZQONRURT-UHFFFAOYSA-N
XLogP6.40
TPSA105.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.52
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-yl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 4-(furan-3-yl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (CID 136936927) is 4-(furan-3-yl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 4-(furan-3-yl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4-(furan-3-yl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is c1ccc(COc2cncc(-c3ccc4[nH]nc(-c5nc6c(-c7ccoc7)nccc6[nH]5)c4c3)c2)cc1.
What is the InChIKey of 4-(furan-3-yl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The InChIKey is KWSQYNZQONRURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20N6O2/c1-2-4-18(5-3-1)16-37-22-12-21(14-30-15-22)19-6-7-24-23(13-19)27(35-34-24)29-32-25-8-10-31-26(28(25)33-29)20-9-11-36-17-20/h1-15,17H,16H2,(H,32,33)(H,34,35).
What are the key properties of 4-(furan-3-yl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
4-(furan-3-yl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine has a molecular weight of 484.52 g/mol, XLogP of 6.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-yl)-2-[5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136936927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).