5-[(2-butylindazol-7-yl)amino]-2-(4-methylimidazol-1-yl)phenol

C21H23N5O — CID 70193214

IUPAC5-[(2-butylindazol-7-yl)amino]-2-(4-methylimidazol-1-yl)phenol
SMILESCCCCn1cc2cccc(Nc3ccc(-n4cnc(C)c4)c(O)c3)c2n1
InChIInChI=1S/C21H23N5O/c1-3-4-10-26-13-16-6-5-7-18(21(16)24-26)23-17-8-9-19(20(27)11-17)25-12-15(2)22-14-25/h5-9,11-14,23,27H,3-4,10H2,1-2H3
InChIKeyPYNHQGGOBWDWRV-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.78
Rot. Bonds6

About 5-[(2-butylindazol-7-yl)amino]-2-(4-methylimidazol-1-yl)phenol

5-[(2-butylindazol-7-yl)amino]-2-(4-methylimidazol-1-yl)phenol (PubChem CID 70193214) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 5-[(2-butylindazol-7-yl)amino]-2-(4-methylimidazol-1-yl)phenol.

Molecular Properties

Compound Name5-[(2-butylindazol-7-yl)amino]-2-(4-methylimidazol-1-yl)phenol
PubChem CID70193214
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name5-[(2-butylindazol-7-yl)amino]-2-(4-methylimidazol-1-yl)phenol
SMILESCCCCn1cc2cccc(Nc3ccc(-n4cnc(C)c4)c(O)c3)c2n1
InChIInChI=1S/C21H23N5O/c1-3-4-10-26-13-16-6-5-7-18(21(16)24-26)23-17-8-9-19(20(27)11-17)25-12-15(2)22-14-25/h5-9,11-14,23,27H,3-4,10H2,1-2H3
InChIKeyPYNHQGGOBWDWRV-UHFFFAOYSA-N
XLogP4.78
TPSA67.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-butylindazol-7-yl)amino]-2-(4-methylimidazol-1-yl)phenol?
The IUPAC name of 5-[(2-butylindazol-7-yl)amino]-2-(4-methylimidazol-1-yl)phenol (CID 70193214) is 5-[(2-butylindazol-7-yl)amino]-2-(4-methylimidazol-1-yl)phenol.
What is the SMILES notation for 5-[(2-butylindazol-7-yl)amino]-2-(4-methylimidazol-1-yl)phenol?
The canonical SMILES for 5-[(2-butylindazol-7-yl)amino]-2-(4-methylimidazol-1-yl)phenol is CCCCn1cc2cccc(Nc3ccc(-n4cnc(C)c4)c(O)c3)c2n1.
What is the InChIKey of 5-[(2-butylindazol-7-yl)amino]-2-(4-methylimidazol-1-yl)phenol?
The InChIKey is PYNHQGGOBWDWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-3-4-10-26-13-16-6-5-7-18(21(16)24-26)23-17-8-9-19(20(27)11-17)25-12-15(2)22-14-25/h5-9,11-14,23,27H,3-4,10H2,1-2H3.
What are the key properties of 5-[(2-butylindazol-7-yl)amino]-2-(4-methylimidazol-1-yl)phenol?
5-[(2-butylindazol-7-yl)amino]-2-(4-methylimidazol-1-yl)phenol has a molecular weight of 361.45 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-butylindazol-7-yl)amino]-2-(4-methylimidazol-1-yl)phenol is sourced from PubChem (CID 70193214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).