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

C28H23FN6OS — CID 136936950

IUPAC2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine
SMILESFc1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OC7CCCCC7)c6)cc45)nc23)s1
InChIInChI=1S/C28H23FN6OS/c29-24-9-8-23(37-24)27-26-22(10-11-31-27)32-28(33-26)25-20-13-16(6-7-21(20)34-35-25)17-12-19(15-30-14-17)36-18-4-2-1-3-5-18/h6-15,18H,1-5H2,(H,32,33)(H,34,35)
InChIKeyLWNOJIORNPESIN-UHFFFAOYSA-N
MW510.60 g/mol
LogP7.14
Rot. Bonds5

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

2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine (PubChem CID 136936950) has the molecular formula C28H23FN6OS and a molecular weight of 510.60 g/mol. Its IUPAC name is 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine
PubChem CID136936950
Molecular FormulaC28H23FN6OS
Molecular Weight510.60 g/mol
Exact Mass510.16
IUPAC Name2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine
SMILESFc1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OC7CCCCC7)c6)cc45)nc23)s1
InChIInChI=1S/C28H23FN6OS/c29-24-9-8-23(37-24)27-26-22(10-11-31-27)32-28(33-26)25-20-13-16(6-7-21(20)34-35-25)17-12-19(15-30-14-17)36-18-4-2-1-3-5-18/h6-15,18H,1-5H2,(H,32,33)(H,34,35)
InChIKeyLWNOJIORNPESIN-UHFFFAOYSA-N
XLogP7.14
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.60
LogP ≤ 57.14
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-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine?
The IUPAC name of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine (CID 136936950) is 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine?
The canonical SMILES for 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine is Fc1ccc(-c2nccc3[nH]c(-c4n[nH]c5ccc(-c6cncc(OC7CCCCC7)c6)cc45)nc23)s1.
What is the InChIKey of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine?
The InChIKey is LWNOJIORNPESIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN6OS/c29-24-9-8-23(37-24)27-26-22(10-11-31-27)32-28(33-26)25-20-13-16(6-7-21(20)34-35-25)17-12-19(15-30-14-17)36-18-4-2-1-3-5-18/h6-15,18H,1-5H2,(H,32,33)(H,34,35).
What are the key properties of 2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine?
2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine has a molecular weight of 510.60 g/mol, XLogP of 7.14, 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-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 136936950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).