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

C25H23N5O2 — CID 67282874

IUPACN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(3-methoxyphenyl)indazol-7-amine
SMILESCOc1cccc(-n2cc3cccc(Nc4ccc(-n5cnc(C)c5)c(OC)c4)c3n2)c1
InChIInChI=1S/C25H23N5O2/c1-17-14-29(16-26-17)23-11-10-19(12-24(23)32-3)27-22-9-4-6-18-15-30(28-25(18)22)20-7-5-8-21(13-20)31-2/h4-16,27H,1-3H3
InChIKeyDKRNLLWDQREMQK-UHFFFAOYSA-N
MW425.49 g/mol
LogP5.28
Rot. Bonds6

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

N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(3-methoxyphenyl)indazol-7-amine (PubChem CID 67282874) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(3-methoxyphenyl)indazol-7-amine.

Molecular Properties

Compound NameN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(3-methoxyphenyl)indazol-7-amine
PubChem CID67282874
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC NameN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(3-methoxyphenyl)indazol-7-amine
SMILESCOc1cccc(-n2cc3cccc(Nc4ccc(-n5cnc(C)c5)c(OC)c4)c3n2)c1
InChIInChI=1S/C25H23N5O2/c1-17-14-29(16-26-17)23-11-10-19(12-24(23)32-3)27-22-9-4-6-18-15-30(28-25(18)22)20-7-5-8-21(13-20)31-2/h4-16,27H,1-3H3
InChIKeyDKRNLLWDQREMQK-UHFFFAOYSA-N
XLogP5.28
TPSA66.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.49
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(3-methoxyphenyl)indazol-7-amine?
The IUPAC name of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(3-methoxyphenyl)indazol-7-amine (CID 67282874) is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(3-methoxyphenyl)indazol-7-amine.
What is the SMILES notation for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(3-methoxyphenyl)indazol-7-amine?
The canonical SMILES for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(3-methoxyphenyl)indazol-7-amine is COc1cccc(-n2cc3cccc(Nc4ccc(-n5cnc(C)c5)c(OC)c4)c3n2)c1.
What is the InChIKey of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(3-methoxyphenyl)indazol-7-amine?
The InChIKey is DKRNLLWDQREMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-17-14-29(16-26-17)23-11-10-19(12-24(23)32-3)27-22-9-4-6-18-15-30(28-25(18)22)20-7-5-8-21(13-20)31-2/h4-16,27H,1-3H3.
What are the key properties of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(3-methoxyphenyl)indazol-7-amine?
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(3-methoxyphenyl)indazol-7-amine has a molecular weight of 425.49 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-(3-methoxyphenyl)indazol-7-amine is sourced from PubChem (CID 67282874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).