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

C28H24N6O2 — CID 136936910

IUPAC2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine
SMILESc1cc2[nH]c(-c3n[nH]c4ccc(-c5cncc(OC6CCCCC6)c5)cc34)nc2c(-c2ccoc2)n1
InChIInChI=1S/C28H24N6O2/c1-2-4-20(5-3-1)36-21-12-19(14-29-15-21)17-6-7-23-22(13-17)26(34-33-23)28-31-24-8-10-30-25(27(24)32-28)18-9-11-35-16-18/h6-16,20H,1-5H2,(H,31,32)(H,33,34)
InChIKeyUOIGXWZARDPYFY-UHFFFAOYSA-N
MW476.54 g/mol
LogP6.53
Rot. Bonds5

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

2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine (PubChem CID 136936910) has the molecular formula C28H24N6O2 and a molecular weight of 476.54 g/mol. Its IUPAC name is 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine
PubChem CID136936910
Molecular FormulaC28H24N6O2
Molecular Weight476.54 g/mol
Exact Mass476.20
IUPAC Name2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine
SMILESc1cc2[nH]c(-c3n[nH]c4ccc(-c5cncc(OC6CCCCC6)c5)cc34)nc2c(-c2ccoc2)n1
InChIInChI=1S/C28H24N6O2/c1-2-4-20(5-3-1)36-21-12-19(14-29-15-21)17-6-7-23-22(13-17)26(34-33-23)28-31-24-8-10-30-25(27(24)32-28)18-9-11-35-16-18/h6-16,20H,1-5H2,(H,31,32)(H,33,34)
InChIKeyUOIGXWZARDPYFY-UHFFFAOYSA-N
XLogP6.53
TPSA105.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.54
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine (CID 136936910) is 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine is c1cc2[nH]c(-c3n[nH]c4ccc(-c5cncc(OC6CCCCC6)c5)cc34)nc2c(-c2ccoc2)n1.
What is the InChIKey of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine?
The InChIKey is UOIGXWZARDPYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O2/c1-2-4-20(5-3-1)36-21-12-19(14-29-15-21)17-6-7-23-22(13-17)26(34-33-23)28-31-24-8-10-30-25(27(24)32-28)18-9-11-35-16-18/h6-16,20H,1-5H2,(H,31,32)(H,33,34).
What are the key properties of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine?
2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine has a molecular weight of 476.54 g/mol, XLogP of 6.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(furan-3-yl)-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136936910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).