4-[2-amino-5-[1-(4-cyclopentylcyclohexyl)indazol-5-yl]-4-ethyl-3-pyridinyl]phenol

C31H36N4O — CID 166554542

IUPAC4-[2-amino-5-[1-(4-cyclopentylcyclohexyl)indazol-5-yl]-4-ethyl-3-pyridinyl]phenol
SMILESCCc1c(-c2ccc3c(cnn3C3CCC(C4CCCC4)CC3)c2)cnc(N)c1-c1ccc(O)cc1
InChIInChI=1S/C31H36N4O/c1-2-27-28(19-33-31(32)30(27)22-9-14-26(36)15-10-22)23-11-16-29-24(17-23)18-34-35(29)25-12-7-21(8-13-25)20-5-3-4-6-20/h9-11,14-21,25,36H,2-8,12-13H2,1H3,(H2,32,33)
InChIKeyIJZFHVAEYRCUTF-UHFFFAOYSA-N
MW480.66 g/mol
LogP7.54
Rot. Bonds5

About 4-[2-amino-5-[1-(4-cyclopentylcyclohexyl)indazol-5-yl]-4-ethyl-3-pyridinyl]phenol

4-[2-amino-5-[1-(4-cyclopentylcyclohexyl)indazol-5-yl]-4-ethyl-3-pyridinyl]phenol (PubChem CID 166554542) has the molecular formula C31H36N4O and a molecular weight of 480.66 g/mol. Its IUPAC name is 4-[2-amino-5-[1-(4-cyclopentylcyclohexyl)indazol-5-yl]-4-ethyl-3-pyridinyl]phenol.

Molecular Properties

Compound Name4-[2-amino-5-[1-(4-cyclopentylcyclohexyl)indazol-5-yl]-4-ethyl-3-pyridinyl]phenol
PubChem CID166554542
Molecular FormulaC31H36N4O
Molecular Weight480.66 g/mol
Exact Mass480.29
IUPAC Name4-[2-amino-5-[1-(4-cyclopentylcyclohexyl)indazol-5-yl]-4-ethyl-3-pyridinyl]phenol
SMILESCCc1c(-c2ccc3c(cnn3C3CCC(C4CCCC4)CC3)c2)cnc(N)c1-c1ccc(O)cc1
InChIInChI=1S/C31H36N4O/c1-2-27-28(19-33-31(32)30(27)22-9-14-26(36)15-10-22)23-11-16-29-24(17-23)18-34-35(29)25-12-7-21(8-13-25)20-5-3-4-6-20/h9-11,14-21,25,36H,2-8,12-13H2,1H3,(H2,32,33)
InChIKeyIJZFHVAEYRCUTF-UHFFFAOYSA-N
XLogP7.54
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.66
LogP ≤ 57.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-[1-(4-cyclopentylcyclohexyl)indazol-5-yl]-4-ethyl-3-pyridinyl]phenol?
The IUPAC name of 4-[2-amino-5-[1-(4-cyclopentylcyclohexyl)indazol-5-yl]-4-ethyl-3-pyridinyl]phenol (CID 166554542) is 4-[2-amino-5-[1-(4-cyclopentylcyclohexyl)indazol-5-yl]-4-ethyl-3-pyridinyl]phenol.
What is the SMILES notation for 4-[2-amino-5-[1-(4-cyclopentylcyclohexyl)indazol-5-yl]-4-ethyl-3-pyridinyl]phenol?
The canonical SMILES for 4-[2-amino-5-[1-(4-cyclopentylcyclohexyl)indazol-5-yl]-4-ethyl-3-pyridinyl]phenol is CCc1c(-c2ccc3c(cnn3C3CCC(C4CCCC4)CC3)c2)cnc(N)c1-c1ccc(O)cc1.
What is the InChIKey of 4-[2-amino-5-[1-(4-cyclopentylcyclohexyl)indazol-5-yl]-4-ethyl-3-pyridinyl]phenol?
The InChIKey is IJZFHVAEYRCUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N4O/c1-2-27-28(19-33-31(32)30(27)22-9-14-26(36)15-10-22)23-11-16-29-24(17-23)18-34-35(29)25-12-7-21(8-13-25)20-5-3-4-6-20/h9-11,14-21,25,36H,2-8,12-13H2,1H3,(H2,32,33).
What are the key properties of 4-[2-amino-5-[1-(4-cyclopentylcyclohexyl)indazol-5-yl]-4-ethyl-3-pyridinyl]phenol?
4-[2-amino-5-[1-(4-cyclopentylcyclohexyl)indazol-5-yl]-4-ethyl-3-pyridinyl]phenol has a molecular weight of 480.66 g/mol, XLogP of 7.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-5-[1-(4-cyclopentylcyclohexyl)indazol-5-yl]-4-ethyl-3-pyridinyl]phenol is sourced from PubChem (CID 166554542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).