N-(7-chloro-3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide

C18H13ClF3N3O2 — CID 166337738

IUPACN-(7-chloro-3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1cc2c(cc1Cl)OCCC2)c1n[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C18H13ClF3N3O2/c19-12-8-15-9(2-1-5-27-15)6-14(12)23-17(26)16-11-7-10(18(20,21)22)3-4-13(11)24-25-16/h3-4,6-8H,1-2,5H2,(H,23,26)(H,24,25)
InChIKeyIRLXLPZAXNYYHH-UHFFFAOYSA-N
MW395.77 g/mol
LogP4.81
Rot. Bonds2

About N-(7-chloro-3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide

N-(7-chloro-3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide (PubChem CID 166337738) has the molecular formula C18H13ClF3N3O2 and a molecular weight of 395.77 g/mol. Its IUPAC name is N-(7-chloro-3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-(7-chloro-3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide
PubChem CID166337738
Molecular FormulaC18H13ClF3N3O2
Molecular Weight395.77 g/mol
Exact Mass395.06
IUPAC NameN-(7-chloro-3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1cc2c(cc1Cl)OCCC2)c1n[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C18H13ClF3N3O2/c19-12-8-15-9(2-1-5-27-15)6-14(12)23-17(26)16-11-7-10(18(20,21)22)3-4-13(11)24-25-16/h3-4,6-8H,1-2,5H2,(H,23,26)(H,24,25)
InChIKeyIRLXLPZAXNYYHH-UHFFFAOYSA-N
XLogP4.81
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.77
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-3-carboxamide
CID 38588569
N-(7-chloro-3,4-dihydro-2H-chromen-6-yl)-4-[methyl(prop-2-enoyl)amino]benzamide
CID 166414261
5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one;5-(trifluoromethyl)-1H-indazole-3-carboxamide
CID 145407982
5-amino-N-(2-bromo-3-chlorophenyl)-1H-indazole-3-carboxamide
CID 103477097
N-(2-azabicyclo[3.1.0]hexan-4-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide
CID 167793305
4-[(6-chloro-3,4-dihydro-2H-chromen-7-yl)oxy]-N-[6-(trifluoromethyl)quinolin-2-yl]benzamide
CID 67426118
6-bromo-N-[2-chloro-5-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 16648796
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-4-iodobenzamide
CID 34271644
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 41223258
N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)thiophene-2-carboxamide
CID 17400862
N-[2-chloro-5-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyrimidine-2-carboxamide
CID 91902055
N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]-5-(trifluoromethyl)-1H-indazole-3-carboxamide
CID 167981258

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide?
The IUPAC name of N-(7-chloro-3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide (CID 166337738) is N-(7-chloro-3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for N-(7-chloro-3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide?
The canonical SMILES for N-(7-chloro-3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide is O=C(Nc1cc2c(cc1Cl)OCCC2)c1n[nH]c2ccc(C(F)(F)F)cc12.
What is the InChIKey of N-(7-chloro-3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide?
The InChIKey is IRLXLPZAXNYYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O2/c19-12-8-15-9(2-1-5-27-15)6-14(12)23-17(26)16-11-7-10(18(20,21)22)3-4-13(11)24-25-16/h3-4,6-8H,1-2,5H2,(H,23,26)(H,24,25).
What are the key properties of N-(7-chloro-3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide?
N-(7-chloro-3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide has a molecular weight of 395.77 g/mol, XLogP of 4.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-3,4-dihydro-2H-chromen-6-yl)-5-(trifluoromethyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 166337738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).