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

C23H16N6O2 — CID 136936918

IUPAC4-(furan-3-yl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
SMILESCOc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccoc6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C23H16N6O2/c1-30-16-8-15(10-24-11-16)13-2-3-18-17(9-13)21(29-28-18)23-26-19-4-6-25-20(22(19)27-23)14-5-7-31-12-14/h2-12H,1H3,(H,26,27)(H,28,29)
InChIKeyMMTHCMCGGMPMMP-UHFFFAOYSA-N
MW408.42 g/mol
LogP4.83
Rot. Bonds4

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

4-(furan-3-yl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (PubChem CID 136936918) has the molecular formula C23H16N6O2 and a molecular weight of 408.42 g/mol. Its IUPAC name is 4-(furan-3-yl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name4-(furan-3-yl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
PubChem CID136936918
Molecular FormulaC23H16N6O2
Molecular Weight408.42 g/mol
Exact Mass408.13
IUPAC Name4-(furan-3-yl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
SMILESCOc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccoc6)nccc5[nH]4)c3c2)c1
InChIInChI=1S/C23H16N6O2/c1-30-16-8-15(10-24-11-16)13-2-3-18-17(9-13)21(29-28-18)23-26-19-4-6-25-20(22(19)27-23)14-5-7-31-12-14/h2-12H,1H3,(H,26,27)(H,28,29)
InChIKeyMMTHCMCGGMPMMP-UHFFFAOYSA-N
XLogP4.83
TPSA105.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 54.83
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-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 4-(furan-3-yl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine (CID 136936918) is 4-(furan-3-yl)-2-[5-(5-methoxy-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-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 4-(furan-3-yl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is COc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccoc6)nccc5[nH]4)c3c2)c1.
What is the InChIKey of 4-(furan-3-yl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
The InChIKey is MMTHCMCGGMPMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N6O2/c1-30-16-8-15(10-24-11-16)13-2-3-18-17(9-13)21(29-28-18)23-26-19-4-6-25-20(22(19)27-23)14-5-7-31-12-14/h2-12H,1H3,(H,26,27)(H,28,29).
What are the key properties of 4-(furan-3-yl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine?
4-(furan-3-yl)-2-[5-(5-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine has a molecular weight of 408.42 g/mol, XLogP of 4.83, 4 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-methoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136936918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).