N-[(4-cyclohexylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]indazol-5-amine

C28H31N3O — CID 135242208

IUPACN-[(4-cyclohexylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]indazol-5-amine
SMILESCOc1ccc(Cn2ncc3cc(NCc4ccc(C5CCCCC5)cc4)ccc32)cc1
InChIInChI=1S/C28H31N3O/c1-32-27-14-9-22(10-15-27)20-31-28-16-13-26(17-25(28)19-30-31)29-18-21-7-11-24(12-8-21)23-5-3-2-4-6-23/h7-17,19,23,29H,2-6,18,20H2,1H3
InChIKeyFCZSKXPVNXVXSE-UHFFFAOYSA-N
MW425.58 g/mol
LogP6.75
Rot. Bonds7

About N-[(4-cyclohexylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]indazol-5-amine

N-[(4-cyclohexylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]indazol-5-amine (PubChem CID 135242208) has the molecular formula C28H31N3O and a molecular weight of 425.58 g/mol. Its IUPAC name is N-[(4-cyclohexylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]indazol-5-amine.

Molecular Properties

Compound NameN-[(4-cyclohexylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]indazol-5-amine
PubChem CID135242208
Molecular FormulaC28H31N3O
Molecular Weight425.58 g/mol
Exact Mass425.25
IUPAC NameN-[(4-cyclohexylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]indazol-5-amine
SMILESCOc1ccc(Cn2ncc3cc(NCc4ccc(C5CCCCC5)cc4)ccc32)cc1
InChIInChI=1S/C28H31N3O/c1-32-27-14-9-22(10-15-27)20-31-28-16-13-26(17-25(28)19-30-31)29-18-21-7-11-24(12-8-21)23-5-3-2-4-6-23/h7-17,19,23,29H,2-6,18,20H2,1H3
InChIKeyFCZSKXPVNXVXSE-UHFFFAOYSA-N
XLogP6.75
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.58
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]indazol-5-amine?
The IUPAC name of N-[(4-cyclohexylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]indazol-5-amine (CID 135242208) is N-[(4-cyclohexylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]indazol-5-amine.
What is the SMILES notation for N-[(4-cyclohexylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]indazol-5-amine?
The canonical SMILES for N-[(4-cyclohexylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]indazol-5-amine is COc1ccc(Cn2ncc3cc(NCc4ccc(C5CCCCC5)cc4)ccc32)cc1.
What is the InChIKey of N-[(4-cyclohexylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]indazol-5-amine?
The InChIKey is FCZSKXPVNXVXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O/c1-32-27-14-9-22(10-15-27)20-31-28-16-13-26(17-25(28)19-30-31)29-18-21-7-11-24(12-8-21)23-5-3-2-4-6-23/h7-17,19,23,29H,2-6,18,20H2,1H3.
What are the key properties of N-[(4-cyclohexylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]indazol-5-amine?
N-[(4-cyclohexylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]indazol-5-amine has a molecular weight of 425.58 g/mol, XLogP of 6.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexylphenyl)methyl]-1-[(4-methoxyphenyl)methyl]indazol-5-amine is sourced from PubChem (CID 135242208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).