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

C30H25FN6O — CID 136936761

IUPAC2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridine
SMILESFc1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OC7CCCCC7)c6)cc45)nc23)cc1
InChIInChI=1S/C30H25FN6O/c31-21-9-6-18(7-10-21)27-29-26(12-13-33-27)34-30(35-29)28-24-15-19(8-11-25(24)36-37-28)20-14-23(17-32-16-20)38-22-4-2-1-3-5-22/h6-17,22H,1-5H2,(H,34,35)(H,36,37)
InChIKeyURWJELZHKONCKG-UHFFFAOYSA-N
MW504.57 g/mol
LogP7.08
Rot. Bonds5

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

2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridine (PubChem CID 136936761) has the molecular formula C30H25FN6O and a molecular weight of 504.57 g/mol. Its IUPAC name is 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridine
PubChem CID136936761
Molecular FormulaC30H25FN6O
Molecular Weight504.57 g/mol
Exact Mass504.21
IUPAC Name2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridine
SMILESFc1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OC7CCCCC7)c6)cc45)nc23)cc1
InChIInChI=1S/C30H25FN6O/c31-21-9-6-18(7-10-21)27-29-26(12-13-33-27)34-30(35-29)28-24-15-19(8-11-25(24)36-37-28)20-14-23(17-32-16-20)38-22-4-2-1-3-5-22/h6-17,22H,1-5H2,(H,34,35)(H,36,37)
InChIKeyURWJELZHKONCKG-UHFFFAOYSA-N
XLogP7.08
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.57
LogP ≤ 57.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridine (CID 136936761) is 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridine is Fc1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OC7CCCCC7)c6)cc45)nc23)cc1.
What is the InChIKey of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridine?
The InChIKey is URWJELZHKONCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25FN6O/c31-21-9-6-18(7-10-21)27-29-26(12-13-33-27)34-30(35-29)28-24-15-19(8-11-25(24)36-37-28)20-14-23(17-32-16-20)38-22-4-2-1-3-5-22/h6-17,22H,1-5H2,(H,34,35)(H,36,37).
What are the key properties of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridine?
2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridine has a molecular weight of 504.57 g/mol, XLogP of 7.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136936761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).