N-[6-(3,4-difluorophenyl)-1H-indazol-3-yl]cyclobutanecarboxamide

C18H15F2N3O — CID 69059640

IUPACN-[6-(3,4-difluorophenyl)-1H-indazol-3-yl]cyclobutanecarboxamide
SMILESO=C(Nc1n[nH]c2cc(-c3ccc(F)c(F)c3)ccc12)C1CCC1
InChIInChI=1S/C18H15F2N3O/c19-14-7-5-11(8-15(14)20)12-4-6-13-16(9-12)22-23-17(13)21-18(24)10-2-1-3-10/h4-10H,1-3H2,(H2,21,22,23,24)
InChIKeyYKPCVGCJODNMIG-UHFFFAOYSA-N
MW327.33 g/mol
LogP4.25
Rot. Bonds3

About N-[6-(3,4-difluorophenyl)-1H-indazol-3-yl]cyclobutanecarboxamide

N-[6-(3,4-difluorophenyl)-1H-indazol-3-yl]cyclobutanecarboxamide (PubChem CID 69059640) has the molecular formula C18H15F2N3O and a molecular weight of 327.33 g/mol. Its IUPAC name is N-[6-(3,4-difluorophenyl)-1H-indazol-3-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[6-(3,4-difluorophenyl)-1H-indazol-3-yl]cyclobutanecarboxamide
PubChem CID69059640
Molecular FormulaC18H15F2N3O
Molecular Weight327.33 g/mol
Exact Mass327.12
IUPAC NameN-[6-(3,4-difluorophenyl)-1H-indazol-3-yl]cyclobutanecarboxamide
SMILESO=C(Nc1n[nH]c2cc(-c3ccc(F)c(F)c3)ccc12)C1CCC1
InChIInChI=1S/C18H15F2N3O/c19-14-7-5-11(8-15(14)20)12-4-6-13-16(9-12)22-23-17(13)21-18(24)10-2-1-3-10/h4-10H,1-3H2,(H2,21,22,23,24)
InChIKeyYKPCVGCJODNMIG-UHFFFAOYSA-N
XLogP4.25
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3,4-difluorophenyl)-1H-indazol-3-yl]cyclobutanecarboxamide?
The IUPAC name of N-[6-(3,4-difluorophenyl)-1H-indazol-3-yl]cyclobutanecarboxamide (CID 69059640) is N-[6-(3,4-difluorophenyl)-1H-indazol-3-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[6-(3,4-difluorophenyl)-1H-indazol-3-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[6-(3,4-difluorophenyl)-1H-indazol-3-yl]cyclobutanecarboxamide is O=C(Nc1n[nH]c2cc(-c3ccc(F)c(F)c3)ccc12)C1CCC1.
What is the InChIKey of N-[6-(3,4-difluorophenyl)-1H-indazol-3-yl]cyclobutanecarboxamide?
The InChIKey is YKPCVGCJODNMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O/c19-14-7-5-11(8-15(14)20)12-4-6-13-16(9-12)22-23-17(13)21-18(24)10-2-1-3-10/h4-10H,1-3H2,(H2,21,22,23,24).
What are the key properties of N-[6-(3,4-difluorophenyl)-1H-indazol-3-yl]cyclobutanecarboxamide?
N-[6-(3,4-difluorophenyl)-1H-indazol-3-yl]cyclobutanecarboxamide has a molecular weight of 327.33 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,4-difluorophenyl)-1H-indazol-3-yl]cyclobutanecarboxamide is sourced from PubChem (CID 69059640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).