2-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide

C20H17F3N6O2 — CID 150910088

IUPAC2-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide
SMILESCn1ncc2cc(C(C(N)=O)c3cnn(Cc4ccc(OC(F)F)c(F)c4)n3)ccc21
InChIInChI=1S/C20H17F3N6O2/c1-28-16-4-3-12(7-13(16)8-25-28)18(19(24)30)15-9-26-29(27-15)10-11-2-5-17(14(21)6-11)31-20(22)23/h2-9,18,20H,10H2,1H3,(H2,24,30)
InChIKeyLBUNIOZJQHZRMJ-UHFFFAOYSA-N
MW430.39 g/mol
LogP2.57
Rot. Bonds7

About 2-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide

2-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide (PubChem CID 150910088) has the molecular formula C20H17F3N6O2 and a molecular weight of 430.39 g/mol. Its IUPAC name is 2-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide
PubChem CID150910088
Molecular FormulaC20H17F3N6O2
Molecular Weight430.39 g/mol
Exact Mass430.14
IUPAC Name2-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide
SMILESCn1ncc2cc(C(C(N)=O)c3cnn(Cc4ccc(OC(F)F)c(F)c4)n3)ccc21
InChIInChI=1S/C20H17F3N6O2/c1-28-16-4-3-12(7-13(16)8-25-28)18(19(24)30)15-9-26-29(27-15)10-11-2-5-17(14(21)6-11)31-20(22)23/h2-9,18,20H,10H2,1H3,(H2,24,30)
InChIKeyLBUNIOZJQHZRMJ-UHFFFAOYSA-N
XLogP2.57
TPSA100.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide?
The IUPAC name of 2-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide (CID 150910088) is 2-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide.
What is the SMILES notation for 2-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide?
The canonical SMILES for 2-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide is Cn1ncc2cc(C(C(N)=O)c3cnn(Cc4ccc(OC(F)F)c(F)c4)n3)ccc21.
What is the InChIKey of 2-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide?
The InChIKey is LBUNIOZJQHZRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N6O2/c1-28-16-4-3-12(7-13(16)8-25-28)18(19(24)30)15-9-26-29(27-15)10-11-2-5-17(14(21)6-11)31-20(22)23/h2-9,18,20H,10H2,1H3,(H2,24,30).
What are the key properties of 2-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide?
2-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide has a molecular weight of 430.39 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(difluoromethoxy)-3-fluorophenyl]methyl]triazol-4-yl]-2-(1-methylindazol-5-yl)acetamide is sourced from PubChem (CID 150910088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).