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

C22H25N5O — CID 67282190

IUPAC2-butyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]indazol-7-amine
SMILESCCCCn1cc2cccc(Nc3ccc(-n4cnc(C)c4)c(OC)c3)c2n1
InChIInChI=1S/C22H25N5O/c1-4-5-11-27-14-17-7-6-8-19(22(17)25-27)24-18-9-10-20(21(12-18)28-3)26-13-16(2)23-15-26/h6-10,12-15,24H,4-5,11H2,1-3H3
InChIKeyJXUYBLOQORRIJO-UHFFFAOYSA-N
MW375.48 g/mol
LogP5.08
Rot. Bonds7

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

2-butyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]indazol-7-amine (PubChem CID 67282190) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-butyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]indazol-7-amine.

Molecular Properties

Compound Name2-butyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]indazol-7-amine
PubChem CID67282190
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name2-butyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]indazol-7-amine
SMILESCCCCn1cc2cccc(Nc3ccc(-n4cnc(C)c4)c(OC)c3)c2n1
InChIInChI=1S/C22H25N5O/c1-4-5-11-27-14-17-7-6-8-19(22(17)25-27)24-18-9-10-20(21(12-18)28-3)26-13-16(2)23-15-26/h6-10,12-15,24H,4-5,11H2,1-3H3
InChIKeyJXUYBLOQORRIJO-UHFFFAOYSA-N
XLogP5.08
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.48
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]indazol-7-amine?
The IUPAC name of 2-butyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]indazol-7-amine (CID 67282190) is 2-butyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]indazol-7-amine.
What is the SMILES notation for 2-butyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]indazol-7-amine?
The canonical SMILES for 2-butyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]indazol-7-amine is CCCCn1cc2cccc(Nc3ccc(-n4cnc(C)c4)c(OC)c3)c2n1.
What is the InChIKey of 2-butyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]indazol-7-amine?
The InChIKey is JXUYBLOQORRIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-4-5-11-27-14-17-7-6-8-19(22(17)25-27)24-18-9-10-20(21(12-18)28-3)26-13-16(2)23-15-26/h6-10,12-15,24H,4-5,11H2,1-3H3.
What are the key properties of 2-butyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]indazol-7-amine?
2-butyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]indazol-7-amine has a molecular weight of 375.48 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]indazol-7-amine is sourced from PubChem (CID 67282190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).