6-chloro-7-fluoro-N-[(1-methylimidazol-2-yl)methyl]-5-phenyl-1H-indazol-3-amine

C18H15ClFN5 — CID 22225623

IUPAC6-chloro-7-fluoro-N-[(1-methylimidazol-2-yl)methyl]-5-phenyl-1H-indazol-3-amine
SMILESCn1ccnc1CNc1n[nH]c2c(F)c(Cl)c(-c3ccccc3)cc12
InChIInChI=1S/C18H15ClFN5/c1-25-8-7-21-14(25)10-22-18-13-9-12(11-5-3-2-4-6-11)15(19)16(20)17(13)23-24-18/h2-9H,10H2,1H3,(H2,22,23,24)
InChIKeyZYBMNUYCGUBWCQ-UHFFFAOYSA-N
MW355.80 g/mol
LogP4.37
Rot. Bonds4

About 6-chloro-7-fluoro-N-[(1-methylimidazol-2-yl)methyl]-5-phenyl-1H-indazol-3-amine

6-chloro-7-fluoro-N-[(1-methylimidazol-2-yl)methyl]-5-phenyl-1H-indazol-3-amine (PubChem CID 22225623) has the molecular formula C18H15ClFN5 and a molecular weight of 355.80 g/mol. Its IUPAC name is 6-chloro-7-fluoro-N-[(1-methylimidazol-2-yl)methyl]-5-phenyl-1H-indazol-3-amine.

Molecular Properties

Compound Name6-chloro-7-fluoro-N-[(1-methylimidazol-2-yl)methyl]-5-phenyl-1H-indazol-3-amine
PubChem CID22225623
Molecular FormulaC18H15ClFN5
Molecular Weight355.80 g/mol
Exact Mass355.10
IUPAC Name6-chloro-7-fluoro-N-[(1-methylimidazol-2-yl)methyl]-5-phenyl-1H-indazol-3-amine
SMILESCn1ccnc1CNc1n[nH]c2c(F)c(Cl)c(-c3ccccc3)cc12
InChIInChI=1S/C18H15ClFN5/c1-25-8-7-21-14(25)10-22-18-13-9-12(11-5-3-2-4-6-11)15(19)16(20)17(13)23-24-18/h2-9H,10H2,1H3,(H2,22,23,24)
InChIKeyZYBMNUYCGUBWCQ-UHFFFAOYSA-N
XLogP4.37
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.80
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-N-[(1-methylimidazol-2-yl)methyl]-5-phenyl-1H-indazol-3-amine?
The IUPAC name of 6-chloro-7-fluoro-N-[(1-methylimidazol-2-yl)methyl]-5-phenyl-1H-indazol-3-amine (CID 22225623) is 6-chloro-7-fluoro-N-[(1-methylimidazol-2-yl)methyl]-5-phenyl-1H-indazol-3-amine.
What is the SMILES notation for 6-chloro-7-fluoro-N-[(1-methylimidazol-2-yl)methyl]-5-phenyl-1H-indazol-3-amine?
The canonical SMILES for 6-chloro-7-fluoro-N-[(1-methylimidazol-2-yl)methyl]-5-phenyl-1H-indazol-3-amine is Cn1ccnc1CNc1n[nH]c2c(F)c(Cl)c(-c3ccccc3)cc12.
What is the InChIKey of 6-chloro-7-fluoro-N-[(1-methylimidazol-2-yl)methyl]-5-phenyl-1H-indazol-3-amine?
The InChIKey is ZYBMNUYCGUBWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN5/c1-25-8-7-21-14(25)10-22-18-13-9-12(11-5-3-2-4-6-11)15(19)16(20)17(13)23-24-18/h2-9H,10H2,1H3,(H2,22,23,24).
What are the key properties of 6-chloro-7-fluoro-N-[(1-methylimidazol-2-yl)methyl]-5-phenyl-1H-indazol-3-amine?
6-chloro-7-fluoro-N-[(1-methylimidazol-2-yl)methyl]-5-phenyl-1H-indazol-3-amine has a molecular weight of 355.80 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-N-[(1-methylimidazol-2-yl)methyl]-5-phenyl-1H-indazol-3-amine is sourced from PubChem (CID 22225623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).