2-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]indazol-7-amine

C25H22FN5O — CID 67281831

IUPAC2-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]indazol-7-amine
SMILESCOc1cc(Nc2cccc3cn(Cc4ccc(F)cc4)nc23)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H22FN5O/c1-17-13-30(16-27-17)23-11-10-21(12-24(23)32-2)28-22-5-3-4-19-15-31(29-25(19)22)14-18-6-8-20(26)9-7-18/h3-13,15-16,28H,14H2,1-2H3
InChIKeyUOTIXMXOYZCICU-UHFFFAOYSA-N
MW427.48 g/mol
LogP5.47
Rot. Bonds6

About 2-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]indazol-7-amine

2-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]indazol-7-amine (PubChem CID 67281831) has the molecular formula C25H22FN5O and a molecular weight of 427.48 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]indazol-7-amine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]indazol-7-amine
PubChem CID67281831
Molecular FormulaC25H22FN5O
Molecular Weight427.48 g/mol
Exact Mass427.18
IUPAC Name2-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]indazol-7-amine
SMILESCOc1cc(Nc2cccc3cn(Cc4ccc(F)cc4)nc23)ccc1-n1cnc(C)c1
InChIInChI=1S/C25H22FN5O/c1-17-13-30(16-27-17)23-11-10-21(12-24(23)32-2)28-22-5-3-4-19-15-31(29-25(19)22)14-18-6-8-20(26)9-7-18/h3-13,15-16,28H,14H2,1-2H3
InChIKeyUOTIXMXOYZCICU-UHFFFAOYSA-N
XLogP5.47
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.48
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]indazol-7-amine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]indazol-7-amine (CID 67281831) is 2-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]indazol-7-amine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]indazol-7-amine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]indazol-7-amine is COc1cc(Nc2cccc3cn(Cc4ccc(F)cc4)nc23)ccc1-n1cnc(C)c1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]indazol-7-amine?
The InChIKey is UOTIXMXOYZCICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O/c1-17-13-30(16-27-17)23-11-10-21(12-24(23)32-2)28-22-5-3-4-19-15-31(29-25(19)22)14-18-6-8-20(26)9-7-18/h3-13,15-16,28H,14H2,1-2H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]indazol-7-amine?
2-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]indazol-7-amine has a molecular weight of 427.48 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]indazol-7-amine is sourced from PubChem (CID 67281831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).