6-amino-1'-methyl-2'-oxo-5'-(trifluoromethoxy)spiro[1,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile

C16H11F3N6O2 — CID 162648664

IUPAC6-amino-1'-methyl-2'-oxo-5'-(trifluoromethoxy)spiro[1,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile
SMILESCN1C(=O)C2(C(C#N)=C(N)Nc3[nH]ncc32)c2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C16H11F3N6O2/c1-25-11-3-2-7(27-16(17,18)19)4-8(11)15(14(25)26)9(5-20)12(21)23-13-10(15)6-22-24-13/h2-4,6H,21H2,1H3,(H2,22,23,24)
InChIKeyNMUWWNGBUPJBBU-UHFFFAOYSA-N
MW376.30 g/mol
LogP1.69
Rot. Bonds1

About 6-amino-1'-methyl-2'-oxo-5'-(trifluoromethoxy)spiro[1,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile

6-amino-1'-methyl-2'-oxo-5'-(trifluoromethoxy)spiro[1,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile (PubChem CID 162648664) has the molecular formula C16H11F3N6O2 and a molecular weight of 376.30 g/mol. Its IUPAC name is 6-amino-1'-methyl-2'-oxo-5'-(trifluoromethoxy)spiro[1,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile.

Molecular Properties

Compound Name6-amino-1'-methyl-2'-oxo-5'-(trifluoromethoxy)spiro[1,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile
PubChem CID162648664
Molecular FormulaC16H11F3N6O2
Molecular Weight376.30 g/mol
Exact Mass376.09
IUPAC Name6-amino-1'-methyl-2'-oxo-5'-(trifluoromethoxy)spiro[1,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile
SMILESCN1C(=O)C2(C(C#N)=C(N)Nc3[nH]ncc32)c2cc(OC(F)(F)F)ccc21
InChIInChI=1S/C16H11F3N6O2/c1-25-11-3-2-7(27-16(17,18)19)4-8(11)15(14(25)26)9(5-20)12(21)23-13-10(15)6-22-24-13/h2-4,6H,21H2,1H3,(H2,22,23,24)
InChIKeyNMUWWNGBUPJBBU-UHFFFAOYSA-N
XLogP1.69
TPSA120.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1'-methyl-2'-oxo-5'-(trifluoromethoxy)spiro[1,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile?
The IUPAC name of 6-amino-1'-methyl-2'-oxo-5'-(trifluoromethoxy)spiro[1,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile (CID 162648664) is 6-amino-1'-methyl-2'-oxo-5'-(trifluoromethoxy)spiro[1,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile.
What is the SMILES notation for 6-amino-1'-methyl-2'-oxo-5'-(trifluoromethoxy)spiro[1,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile?
The canonical SMILES for 6-amino-1'-methyl-2'-oxo-5'-(trifluoromethoxy)spiro[1,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile is CN1C(=O)C2(C(C#N)=C(N)Nc3[nH]ncc32)c2cc(OC(F)(F)F)ccc21.
What is the InChIKey of 6-amino-1'-methyl-2'-oxo-5'-(trifluoromethoxy)spiro[1,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile?
The InChIKey is NMUWWNGBUPJBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N6O2/c1-25-11-3-2-7(27-16(17,18)19)4-8(11)15(14(25)26)9(5-20)12(21)23-13-10(15)6-22-24-13/h2-4,6H,21H2,1H3,(H2,22,23,24).
What are the key properties of 6-amino-1'-methyl-2'-oxo-5'-(trifluoromethoxy)spiro[1,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile?
6-amino-1'-methyl-2'-oxo-5'-(trifluoromethoxy)spiro[1,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile has a molecular weight of 376.30 g/mol, XLogP of 1.69, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1'-methyl-2'-oxo-5'-(trifluoromethoxy)spiro[1,7-dihydropyrazolo[5,4-b]pyridine-4,3'-indole]-5-carbonitrile is sourced from PubChem (CID 162648664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).