2-[[1-(4-chlorobenzoyl)azetidin-3-yl]methyl]-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]indazole-5-carboxamide

C24H24ClF3N4O3 — CID 71582294

IUPAC2-[[1-(4-chlorobenzoyl)azetidin-3-yl]methyl]-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]indazole-5-carboxamide
SMILESCc1c(C(=O)NCCOCC(F)(F)F)ccc2nn(CC3CN(C(=O)c4ccc(Cl)cc4)C3)cc12
InChIInChI=1S/C24H24ClF3N4O3/c1-15-19(22(33)29-8-9-35-14-24(26,27)28)6-7-21-20(15)13-32(30-21)12-16-10-31(11-16)23(34)17-2-4-18(25)5-3-17/h2-7,13,16H,8-12,14H2,1H3,(H,29,33)
InChIKeyCFFSTVIZZFRKTI-UHFFFAOYSA-N
MW508.93 g/mol
LogP4.08
Rot. Bonds8

About 2-[[1-(4-chlorobenzoyl)azetidin-3-yl]methyl]-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]indazole-5-carboxamide

2-[[1-(4-chlorobenzoyl)azetidin-3-yl]methyl]-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]indazole-5-carboxamide (PubChem CID 71582294) has the molecular formula C24H24ClF3N4O3 and a molecular weight of 508.93 g/mol. Its IUPAC name is 2-[[1-(4-chlorobenzoyl)azetidin-3-yl]methyl]-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]indazole-5-carboxamide.

Molecular Properties

Compound Name2-[[1-(4-chlorobenzoyl)azetidin-3-yl]methyl]-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]indazole-5-carboxamide
PubChem CID71582294
Molecular FormulaC24H24ClF3N4O3
Molecular Weight508.93 g/mol
Exact Mass508.15
IUPAC Name2-[[1-(4-chlorobenzoyl)azetidin-3-yl]methyl]-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]indazole-5-carboxamide
SMILESCc1c(C(=O)NCCOCC(F)(F)F)ccc2nn(CC3CN(C(=O)c4ccc(Cl)cc4)C3)cc12
InChIInChI=1S/C24H24ClF3N4O3/c1-15-19(22(33)29-8-9-35-14-24(26,27)28)6-7-21-20(15)13-32(30-21)12-16-10-31(11-16)23(34)17-2-4-18(25)5-3-17/h2-7,13,16H,8-12,14H2,1H3,(H,29,33)
InChIKeyCFFSTVIZZFRKTI-UHFFFAOYSA-N
XLogP4.08
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.93
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorobenzoyl)azetidin-3-yl]methyl]-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]indazole-5-carboxamide?
The IUPAC name of 2-[[1-(4-chlorobenzoyl)azetidin-3-yl]methyl]-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]indazole-5-carboxamide (CID 71582294) is 2-[[1-(4-chlorobenzoyl)azetidin-3-yl]methyl]-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]indazole-5-carboxamide.
What is the SMILES notation for 2-[[1-(4-chlorobenzoyl)azetidin-3-yl]methyl]-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]indazole-5-carboxamide?
The canonical SMILES for 2-[[1-(4-chlorobenzoyl)azetidin-3-yl]methyl]-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]indazole-5-carboxamide is Cc1c(C(=O)NCCOCC(F)(F)F)ccc2nn(CC3CN(C(=O)c4ccc(Cl)cc4)C3)cc12.
What is the InChIKey of 2-[[1-(4-chlorobenzoyl)azetidin-3-yl]methyl]-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]indazole-5-carboxamide?
The InChIKey is CFFSTVIZZFRKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF3N4O3/c1-15-19(22(33)29-8-9-35-14-24(26,27)28)6-7-21-20(15)13-32(30-21)12-16-10-31(11-16)23(34)17-2-4-18(25)5-3-17/h2-7,13,16H,8-12,14H2,1H3,(H,29,33).
What are the key properties of 2-[[1-(4-chlorobenzoyl)azetidin-3-yl]methyl]-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]indazole-5-carboxamide?
2-[[1-(4-chlorobenzoyl)azetidin-3-yl]methyl]-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]indazole-5-carboxamide has a molecular weight of 508.93 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chlorobenzoyl)azetidin-3-yl]methyl]-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]indazole-5-carboxamide is sourced from PubChem (CID 71582294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).