N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide

C19H13F3N4O2 — CID 118326029

IUPACN-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12)c1ccoc1
InChIInChI=1S/C19H13F3N4O2/c20-19(21,22)16-6-5-12(9-23-16)10-26-15-4-2-1-3-14(15)17(25-26)24-18(27)13-7-8-28-11-13/h1-9,11H,10H2,(H,24,25,27)
InChIKeyGBVJMSUTRLQKMM-UHFFFAOYSA-N
MW386.33 g/mol
LogP4.34
Rot. Bonds4

About N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide

N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide (PubChem CID 118326029) has the molecular formula C19H13F3N4O2 and a molecular weight of 386.33 g/mol. Its IUPAC name is N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide
PubChem CID118326029
Molecular FormulaC19H13F3N4O2
Molecular Weight386.33 g/mol
Exact Mass386.10
IUPAC NameN-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide
SMILESO=C(Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12)c1ccoc1
InChIInChI=1S/C19H13F3N4O2/c20-19(21,22)16-6-5-12(9-23-16)10-26-15-4-2-1-3-14(15)17(25-26)24-18(27)13-7-8-28-11-13/h1-9,11H,10H2,(H,24,25,27)
InChIKeyGBVJMSUTRLQKMM-UHFFFAOYSA-N
XLogP4.34
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Methyl-N-(1-((4-(trifluoromethyl)phenyl)methyl)-1H-indazol-3-yl)-3-furancarboxamide
CID 91844684
N-{[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-2-methyl-3-furancarboxamide
CID 16225493
N-(2-phenyl-2H-pyrazolo[3,4-c]quinolin-4-yl)furan-3-carboxamide
CID 44562752
US10577360, Example 4
CID 132036118
US9687479, 375 N-[(4-fluorophenyl)methyl]-3-(pyridin-2-yl)-1-[(thiophen-3-yl)carbonyl]-1H-1,2,4-triazol-5-amine
CID 133081409
US9687479, 377 N-[(4-fluorophenyl)methyl]-3-(pyridin-3-yl)-1-[(thiophen-3-yl)carbonyl]-1H-1,2,4-triazol-5-amine
CID 133081410
1-[2-(Furan-3-yl)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[3-(trifluoromethyl)phenyl]urea
CID 155558292
US9687479, 402 N-benzyl-1-[(furan-3-yl)carbonyl]-3-(pyridin-4-yl)-1H-1,2,4-triazol-5-amine
CID 133081422
N-[4-(pyridin-3-yloxy)-1-(2,2,2-trifluoroethyl)-1H-indazol-3-yl]-1,3-oxazole-4-carboxamide
CID 70782066
Furan-3-yl-[4-(5-phenyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 44968159
N-[1-[[3-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide
CID 118326026
N-[4-chloro-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-3-yl]furan-3-carboxamide
CID 118335335

Frequently Asked Questions

What is the IUPAC name of N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide?
The IUPAC name of N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide (CID 118326029) is N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide is O=C(Nc1nn(Cc2ccc(C(F)(F)F)nc2)c2ccccc12)c1ccoc1.
What is the InChIKey of N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide?
The InChIKey is GBVJMSUTRLQKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O2/c20-19(21,22)16-6-5-12(9-23-16)10-26-15-4-2-1-3-14(15)17(25-26)24-18(27)13-7-8-28-11-13/h1-9,11H,10H2,(H,24,25,27).
What are the key properties of N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide?
N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide has a molecular weight of 386.33 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indazol-3-yl]furan-3-carboxamide is sourced from PubChem (CID 118326029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).