N-[6-(2,3-difluorophenyl)-1H-indazol-3-yl]cyclopropanecarboxamide

C17H13F2N3O — CID 6539605

IUPACN-[6-(2,3-difluorophenyl)-1H-indazol-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1n[nH]c2cc(-c3cccc(F)c3F)ccc12)C1CC1
InChIInChI=1S/C17H13F2N3O/c18-13-3-1-2-11(15(13)19)10-6-7-12-14(8-10)21-22-16(12)20-17(23)9-4-5-9/h1-3,6-9H,4-5H2,(H2,20,21,22,23)
InChIKeyBONMYDUTHDSTHA-UHFFFAOYSA-N
MW313.31 g/mol
LogP3.86
Rot. Bonds3

About N-[6-(2,3-difluorophenyl)-1H-indazol-3-yl]cyclopropanecarboxamide

N-[6-(2,3-difluorophenyl)-1H-indazol-3-yl]cyclopropanecarboxamide (PubChem CID 6539605) has the molecular formula C17H13F2N3O and a molecular weight of 313.31 g/mol. Its IUPAC name is N-[6-(2,3-difluorophenyl)-1H-indazol-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(2,3-difluorophenyl)-1H-indazol-3-yl]cyclopropanecarboxamide
PubChem CID6539605
Molecular FormulaC17H13F2N3O
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC NameN-[6-(2,3-difluorophenyl)-1H-indazol-3-yl]cyclopropanecarboxamide
SMILESO=C(Nc1n[nH]c2cc(-c3cccc(F)c3F)ccc12)C1CC1
InChIInChI=1S/C17H13F2N3O/c18-13-3-1-2-11(15(13)19)10-6-7-12-14(8-10)21-22-16(12)20-17(23)9-4-5-9/h1-3,6-9H,4-5H2,(H2,20,21,22,23)
InChIKeyBONMYDUTHDSTHA-UHFFFAOYSA-N
XLogP3.86
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2,3-difluorophenyl)-1H-indazol-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(2,3-difluorophenyl)-1H-indazol-3-yl]cyclopropanecarboxamide (CID 6539605) is N-[6-(2,3-difluorophenyl)-1H-indazol-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(2,3-difluorophenyl)-1H-indazol-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(2,3-difluorophenyl)-1H-indazol-3-yl]cyclopropanecarboxamide is O=C(Nc1n[nH]c2cc(-c3cccc(F)c3F)ccc12)C1CC1.
What is the InChIKey of N-[6-(2,3-difluorophenyl)-1H-indazol-3-yl]cyclopropanecarboxamide?
The InChIKey is BONMYDUTHDSTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O/c18-13-3-1-2-11(15(13)19)10-6-7-12-14(8-10)21-22-16(12)20-17(23)9-4-5-9/h1-3,6-9H,4-5H2,(H2,20,21,22,23).
What are the key properties of N-[6-(2,3-difluorophenyl)-1H-indazol-3-yl]cyclopropanecarboxamide?
N-[6-(2,3-difluorophenyl)-1H-indazol-3-yl]cyclopropanecarboxamide has a molecular weight of 313.31 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,3-difluorophenyl)-1H-indazol-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 6539605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).