N-[1-[[4-(fluoromethyl)phenyl]methyl]-7-(trifluoromethyl)indazol-3-yl]-2-methylfuran-3-carboxamide

C22H17F4N3O2 — CID 118466723

IUPACN-[1-[[4-(fluoromethyl)phenyl]methyl]-7-(trifluoromethyl)indazol-3-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1nn(Cc2ccc(CF)cc2)c2c(C(F)(F)F)cccc12
InChIInChI=1S/C22H17F4N3O2/c1-13-16(9-10-31-13)21(30)27-20-17-3-2-4-18(22(24,25)26)19(17)29(28-20)12-15-7-5-14(11-23)6-8-15/h2-10H,11-12H2,1H3,(H,27,28,30)
InChIKeyBLMRHJAQKGWMRM-UHFFFAOYSA-N
MW431.39 g/mol
LogP5.73
Rot. Bonds5

About N-[1-[[4-(fluoromethyl)phenyl]methyl]-7-(trifluoromethyl)indazol-3-yl]-2-methylfuran-3-carboxamide

N-[1-[[4-(fluoromethyl)phenyl]methyl]-7-(trifluoromethyl)indazol-3-yl]-2-methylfuran-3-carboxamide (PubChem CID 118466723) has the molecular formula C22H17F4N3O2 and a molecular weight of 431.39 g/mol. Its IUPAC name is N-[1-[[4-(fluoromethyl)phenyl]methyl]-7-(trifluoromethyl)indazol-3-yl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-(fluoromethyl)phenyl]methyl]-7-(trifluoromethyl)indazol-3-yl]-2-methylfuran-3-carboxamide
PubChem CID118466723
Molecular FormulaC22H17F4N3O2
Molecular Weight431.39 g/mol
Exact Mass431.13
IUPAC NameN-[1-[[4-(fluoromethyl)phenyl]methyl]-7-(trifluoromethyl)indazol-3-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1nn(Cc2ccc(CF)cc2)c2c(C(F)(F)F)cccc12
InChIInChI=1S/C22H17F4N3O2/c1-13-16(9-10-31-13)21(30)27-20-17-3-2-4-18(22(24,25)26)19(17)29(28-20)12-15-7-5-14(11-23)6-8-15/h2-10H,11-12H2,1H3,(H,27,28,30)
InChIKeyBLMRHJAQKGWMRM-UHFFFAOYSA-N
XLogP5.73
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.39
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(fluoromethyl)phenyl]methyl]-7-(trifluoromethyl)indazol-3-yl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[1-[[4-(fluoromethyl)phenyl]methyl]-7-(trifluoromethyl)indazol-3-yl]-2-methylfuran-3-carboxamide (CID 118466723) is N-[1-[[4-(fluoromethyl)phenyl]methyl]-7-(trifluoromethyl)indazol-3-yl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[1-[[4-(fluoromethyl)phenyl]methyl]-7-(trifluoromethyl)indazol-3-yl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[1-[[4-(fluoromethyl)phenyl]methyl]-7-(trifluoromethyl)indazol-3-yl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1nn(Cc2ccc(CF)cc2)c2c(C(F)(F)F)cccc12.
What is the InChIKey of N-[1-[[4-(fluoromethyl)phenyl]methyl]-7-(trifluoromethyl)indazol-3-yl]-2-methylfuran-3-carboxamide?
The InChIKey is BLMRHJAQKGWMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N3O2/c1-13-16(9-10-31-13)21(30)27-20-17-3-2-4-18(22(24,25)26)19(17)29(28-20)12-15-7-5-14(11-23)6-8-15/h2-10H,11-12H2,1H3,(H,27,28,30).
What are the key properties of N-[1-[[4-(fluoromethyl)phenyl]methyl]-7-(trifluoromethyl)indazol-3-yl]-2-methylfuran-3-carboxamide?
N-[1-[[4-(fluoromethyl)phenyl]methyl]-7-(trifluoromethyl)indazol-3-yl]-2-methylfuran-3-carboxamide has a molecular weight of 431.39 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(fluoromethyl)phenyl]methyl]-7-(trifluoromethyl)indazol-3-yl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 118466723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).