2-[3-(azetidin-3-yl)-4-chloroindazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C14H14ClF3N4O — CID 177252983

IUPAC2-[3-(azetidin-3-yl)-4-chloroindazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1nc(C2CNC2)c2c(Cl)cccc21)NCC(F)(F)F
InChIInChI=1S/C14H14ClF3N4O/c15-9-2-1-3-10-12(9)13(8-4-19-5-8)21-22(10)6-11(23)20-7-14(16,17)18/h1-3,8,19H,4-7H2,(H,20,23)
InChIKeyNBGPIMPNNMLJIR-UHFFFAOYSA-N
MW346.74 g/mol
LogP2.06
Rot. Bonds4

About 2-[3-(azetidin-3-yl)-4-chloroindazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[3-(azetidin-3-yl)-4-chloroindazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 177252983) has the molecular formula C14H14ClF3N4O and a molecular weight of 346.74 g/mol. Its IUPAC name is 2-[3-(azetidin-3-yl)-4-chloroindazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[3-(azetidin-3-yl)-4-chloroindazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID177252983
Molecular FormulaC14H14ClF3N4O
Molecular Weight346.74 g/mol
Exact Mass346.08
IUPAC Name2-[3-(azetidin-3-yl)-4-chloroindazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(Cn1nc(C2CNC2)c2c(Cl)cccc21)NCC(F)(F)F
InChIInChI=1S/C14H14ClF3N4O/c15-9-2-1-3-10-12(9)13(8-4-19-5-8)21-22(10)6-11(23)20-7-14(16,17)18/h1-3,8,19H,4-7H2,(H,20,23)
InChIKeyNBGPIMPNNMLJIR-UHFFFAOYSA-N
XLogP2.06
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.74
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(azetidin-3-yl)-4-chloroindazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[3-(azetidin-3-yl)-4-chloroindazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 177252983) is 2-[3-(azetidin-3-yl)-4-chloroindazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[3-(azetidin-3-yl)-4-chloroindazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[3-(azetidin-3-yl)-4-chloroindazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is O=C(Cn1nc(C2CNC2)c2c(Cl)cccc21)NCC(F)(F)F.
What is the InChIKey of 2-[3-(azetidin-3-yl)-4-chloroindazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NBGPIMPNNMLJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF3N4O/c15-9-2-1-3-10-12(9)13(8-4-19-5-8)21-22(10)6-11(23)20-7-14(16,17)18/h1-3,8,19H,4-7H2,(H,20,23).
What are the key properties of 2-[3-(azetidin-3-yl)-4-chloroindazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[3-(azetidin-3-yl)-4-chloroindazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 346.74 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(azetidin-3-yl)-4-chloroindazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 177252983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).