N-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide

C21H17F2N3O2 — CID 162130787

IUPACN-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide
SMILESCC(F)(F)c1ccc(Cn2nc(NC(=O)c3ccco3)c3ccccc32)cc1
InChIInChI=1S/C21H17F2N3O2/c1-21(22,23)15-10-8-14(9-11-15)13-26-17-6-3-2-5-16(17)19(25-26)24-20(27)18-7-4-12-28-18/h2-12H,13H2,1H3,(H,24,25,27)
InChIKeyZIQDJBSZAJFWEV-UHFFFAOYSA-N
MW381.38 g/mol
LogP5.04
Rot. Bonds5

About N-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide

N-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide (PubChem CID 162130787) has the molecular formula C21H17F2N3O2 and a molecular weight of 381.38 g/mol. Its IUPAC name is N-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide
PubChem CID162130787
Molecular FormulaC21H17F2N3O2
Molecular Weight381.38 g/mol
Exact Mass381.13
IUPAC NameN-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide
SMILESCC(F)(F)c1ccc(Cn2nc(NC(=O)c3ccco3)c3ccccc32)cc1
InChIInChI=1S/C21H17F2N3O2/c1-21(22,23)15-10-8-14(9-11-15)13-26-17-6-3-2-5-16(17)19(25-26)24-20(27)18-7-4-12-28-18/h2-12H,13H2,1H3,(H,24,25,27)
InChIKeyZIQDJBSZAJFWEV-UHFFFAOYSA-N
XLogP5.04
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.38
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-N-(1-((4-(trifluoromethyl)phenyl)methyl)-1H-indazol-3-yl)-3-furancarboxamide
CID 91844684
N-[1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]furan-2-carboxamide
CID 938552
N-[4-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-furamide
CID 2809605
N-(6-methyl-1-propylpyrazolo[3,4-b]quinolin-3-yl)furan-2-carboxamide
CID 934278
N-[6-methyl-1-(2-methylpropyl)-3-pyrazolo[3,4-b]quinolinyl]-2-furancarboxamide
CID 939495
N-[2-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]furan-2-carboxamide
CID 2812003
N-(1-ethyl-7-methyl-3-pyrazolo[3,4-b]quinolinyl)-2-furancarboxamide
CID 664852
N-(1-propyl-1H-pyrazolo[3,4-b]quinolin-3-yl)-2-furamide
CID 944687
N-{1-methyl-3-(trifluoromethyl)-4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}-2-furamide
CID 2809606
1-(furan-2-ylmethyl)-3-(2-oxo-4-piperidin-4-yl-1H-pyrimido[1,2-b]indazol-10-yl)urea
CID 137066487
N-(1-ethyl-6-methylpyrazolo[3,4-b]quinolin-3-yl)furan-2-carboxamide
CID 943657
N-(1-((4-(trifluoromethyl)phenyl)methyl)-1H-indazol-3-yl)furan-2-carboxamide
CID 73331364

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide (CID 162130787) is N-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide is CC(F)(F)c1ccc(Cn2nc(NC(=O)c3ccco3)c3ccccc32)cc1.
What is the InChIKey of N-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide?
The InChIKey is ZIQDJBSZAJFWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O2/c1-21(22,23)15-10-8-14(9-11-15)13-26-17-6-3-2-5-16(17)19(25-26)24-20(27)18-7-4-12-28-18/h2-12H,13H2,1H3,(H,24,25,27).
What are the key properties of N-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide?
N-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide has a molecular weight of 381.38 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(1,1-difluoroethyl)phenyl]methyl]indazol-3-yl]furan-2-carboxamide is sourced from PubChem (CID 162130787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).