5-(5-cyclohexyloxy-3-pyridinyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide

C30H26FN5O3 — CID 89458959

IUPAC5-(5-cyclohexyloxy-3-pyridinyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(OC4CCCCC4)c3)cc12
InChIInChI=1S/C30H26FN5O3/c31-21-5-4-8-24(15-21)39-28-12-10-22(17-33-28)34-30(37)29-26-14-19(9-11-27(26)35-36-29)20-13-25(18-32-16-20)38-23-6-2-1-3-7-23/h4-5,8-18,23H,1-3,6-7H2,(H,34,37)(H,35,36)
InChIKeyMJJZJJOVAZXXON-UHFFFAOYSA-N
MW523.57 g/mol
LogP6.92
Rot. Bonds7

About 5-(5-cyclohexyloxy-3-pyridinyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide

5-(5-cyclohexyloxy-3-pyridinyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89458959) has the molecular formula C30H26FN5O3 and a molecular weight of 523.57 g/mol. Its IUPAC name is 5-(5-cyclohexyloxy-3-pyridinyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-cyclohexyloxy-3-pyridinyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID89458959
Molecular FormulaC30H26FN5O3
Molecular Weight523.57 g/mol
Exact Mass523.20
IUPAC Name5-(5-cyclohexyloxy-3-pyridinyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(OC4CCCCC4)c3)cc12
InChIInChI=1S/C30H26FN5O3/c31-21-5-4-8-24(15-21)39-28-12-10-22(17-33-28)34-30(37)29-26-14-19(9-11-27(26)35-36-29)20-13-25(18-32-16-20)38-23-6-2-1-3-7-23/h4-5,8-18,23H,1-3,6-7H2,(H,34,37)(H,35,36)
InChIKeyMJJZJJOVAZXXON-UHFFFAOYSA-N
XLogP6.92
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.57
LogP ≤ 56.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclohexyloxy-3-pyridinyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-(5-cyclohexyloxy-3-pyridinyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89458959) is 5-(5-cyclohexyloxy-3-pyridinyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(5-cyclohexyloxy-3-pyridinyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(5-cyclohexyloxy-3-pyridinyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1n[nH]c2ccc(-c3cncc(OC4CCCCC4)c3)cc12.
What is the InChIKey of 5-(5-cyclohexyloxy-3-pyridinyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is MJJZJJOVAZXXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN5O3/c31-21-5-4-8-24(15-21)39-28-12-10-22(17-33-28)34-30(37)29-26-14-19(9-11-27(26)35-36-29)20-13-25(18-32-16-20)38-23-6-2-1-3-7-23/h4-5,8-18,23H,1-3,6-7H2,(H,34,37)(H,35,36).
What are the key properties of 5-(5-cyclohexyloxy-3-pyridinyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide?
5-(5-cyclohexyloxy-3-pyridinyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 523.57 g/mol, XLogP of 6.92, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclohexyloxy-3-pyridinyl)-N-[6-(3-fluorophenoxy)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89458959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).