2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(2-pyridin-3-ylethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide

C23H21F3N4O4 — CID 164907375

IUPAC2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(2-pyridin-3-ylethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide
SMILESO=C(NCCc1cccnc1)c1oc2ccc3cn(C[C@H]4COCCO4)nc3c2c1C(F)(F)F
InChIInChI=1S/C23H21F3N4O4/c24-23(25,26)19-18-17(34-21(19)22(31)28-7-5-14-2-1-6-27-10-14)4-3-15-11-30(29-20(15)18)12-16-13-32-8-9-33-16/h1-4,6,10-11,16H,5,7-9,12-13H2,(H,28,31)/t16-/m0/s1
InChIKeyYJSGCWIRHMOJGK-INIZCTEOSA-N
MW474.44 g/mol
LogP3.58
Rot. Bonds6

About 2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(2-pyridin-3-ylethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide

2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(2-pyridin-3-ylethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide (PubChem CID 164907375) has the molecular formula C23H21F3N4O4 and a molecular weight of 474.44 g/mol. Its IUPAC name is 2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(2-pyridin-3-ylethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(2-pyridin-3-ylethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide
PubChem CID164907375
Molecular FormulaC23H21F3N4O4
Molecular Weight474.44 g/mol
Exact Mass474.15
IUPAC Name2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(2-pyridin-3-ylethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide
SMILESO=C(NCCc1cccnc1)c1oc2ccc3cn(C[C@H]4COCCO4)nc3c2c1C(F)(F)F
InChIInChI=1S/C23H21F3N4O4/c24-23(25,26)19-18-17(34-21(19)22(31)28-7-5-14-2-1-6-27-10-14)4-3-15-11-30(29-20(15)18)12-16-13-32-8-9-33-16/h1-4,6,10-11,16H,5,7-9,12-13H2,(H,28,31)/t16-/m0/s1
InChIKeyYJSGCWIRHMOJGK-INIZCTEOSA-N
XLogP3.58
TPSA91.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(pyrimidin-2-ylmethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide
CID 164907408
2-[[(2S)-1,4-dioxan-2-yl]methyl]-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxylic acid
CID 164907366
2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-[(6-methoxy-2-pyridinyl)methyl]-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide
CID 164907401
2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-[2-(4-methyltriazol-1-yl)ethyl]-8-(trifluoromethyl)-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 156517577
N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-(pyridin-4-ylmethyl)-8-(trifluoromethyl)spiro[5H-furo[2,3-g]indazole-4,1'-cyclobutane]-7-carboxamide
CID 156790589
N-(1,4-dioxan-2-ylmethyl)-3-(trifluoromethyl)pyridine-2-carboxamide
CID 146125094
N-(2-pyridin-3-ylethyl)morpholine-4-carboxamide
CID 110872249
2-(oxan-3-yl)-N-(2-pyridin-3-ylethyl)acetamide
CID 119062728
(2S)-N-(pyridin-3-ylmethyl)-1,4-dioxane-2-carboxamide
CID 39890239
4-amino-1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-3-carboxamide
CID 65355277
4-[1-[[(2S)-1,4-dioxan-2-yl]methyl]-4-methylpyrazol-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]-3-(trifluoromethyl)benzamide
CID 176905630
(2S,3S)-2-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(2-pyridin-3-ylethyl)oxolane-3-carboxamide
CID 128966459

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(2-pyridin-3-ylethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide?
The IUPAC name of 2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(2-pyridin-3-ylethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide (CID 164907375) is 2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(2-pyridin-3-ylethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide.
What is the SMILES notation for 2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(2-pyridin-3-ylethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide?
The canonical SMILES for 2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(2-pyridin-3-ylethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide is O=C(NCCc1cccnc1)c1oc2ccc3cn(C[C@H]4COCCO4)nc3c2c1C(F)(F)F.
What is the InChIKey of 2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(2-pyridin-3-ylethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide?
The InChIKey is YJSGCWIRHMOJGK-INIZCTEOSA-N. The full InChI is InChI=1S/C23H21F3N4O4/c24-23(25,26)19-18-17(34-21(19)22(31)28-7-5-14-2-1-6-27-10-14)4-3-15-11-30(29-20(15)18)12-16-13-32-8-9-33-16/h1-4,6,10-11,16H,5,7-9,12-13H2,(H,28,31)/t16-/m0/s1.
What are the key properties of 2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(2-pyridin-3-ylethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide?
2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(2-pyridin-3-ylethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide has a molecular weight of 474.44 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1,4-dioxan-2-yl]methyl]-N-(2-pyridin-3-ylethyl)-8-(trifluoromethyl)furo[2,3-g]indazole-7-carboxamide is sourced from PubChem (CID 164907375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).