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

C17H13F3N6O2 — CID 162669124

IUPAC6-amino-1',3-dimethyl-2'-oxo-5'-(trifluoromethoxy)spiro[2,7-dihydropyrazolo[3,4-b]pyridine-4,3'-indole]-5-carbonitrile
SMILESCc1[nH]nc2c1C1(C(=O)N(C)c3ccc(OC(F)(F)F)cc31)C(C#N)=C(N)N2
InChIInChI=1S/C17H13F3N6O2/c1-7-12-14(25-24-7)23-13(22)10(6-21)16(12)9-5-8(28-17(18,19)20)3-4-11(9)26(2)15(16)27/h3-5H,22H2,1-2H3,(H2,23,24,25)
InChIKeyCRIZPUGEWGISQB-UHFFFAOYSA-N
MW390.33 g/mol
LogP2.00
Rot. Bonds1

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

6-amino-1',3-dimethyl-2'-oxo-5'-(trifluoromethoxy)spiro[2,7-dihydropyrazolo[3,4-b]pyridine-4,3'-indole]-5-carbonitrile (PubChem CID 162669124) has the molecular formula C17H13F3N6O2 and a molecular weight of 390.33 g/mol. Its IUPAC name is 6-amino-1',3-dimethyl-2'-oxo-5'-(trifluoromethoxy)spiro[2,7-dihydropyrazolo[3,4-b]pyridine-4,3'-indole]-5-carbonitrile.

Molecular Properties

Compound Name6-amino-1',3-dimethyl-2'-oxo-5'-(trifluoromethoxy)spiro[2,7-dihydropyrazolo[3,4-b]pyridine-4,3'-indole]-5-carbonitrile
PubChem CID162669124
Molecular FormulaC17H13F3N6O2
Molecular Weight390.33 g/mol
Exact Mass390.11
IUPAC Name6-amino-1',3-dimethyl-2'-oxo-5'-(trifluoromethoxy)spiro[2,7-dihydropyrazolo[3,4-b]pyridine-4,3'-indole]-5-carbonitrile
SMILESCc1[nH]nc2c1C1(C(=O)N(C)c3ccc(OC(F)(F)F)cc31)C(C#N)=C(N)N2
InChIInChI=1S/C17H13F3N6O2/c1-7-12-14(25-24-7)23-13(22)10(6-21)16(12)9-5-8(28-17(18,19)20)3-4-11(9)26(2)15(16)27/h3-5H,22H2,1-2H3,(H2,23,24,25)
InChIKeyCRIZPUGEWGISQB-UHFFFAOYSA-N
XLogP2.00
TPSA120.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1',3-dimethyl-2'-oxo-5'-(trifluoromethoxy)spiro[2,7-dihydropyrazolo[3,4-b]pyridine-4,3'-indole]-5-carbonitrile?
The IUPAC name of 6-amino-1',3-dimethyl-2'-oxo-5'-(trifluoromethoxy)spiro[2,7-dihydropyrazolo[3,4-b]pyridine-4,3'-indole]-5-carbonitrile (CID 162669124) is 6-amino-1',3-dimethyl-2'-oxo-5'-(trifluoromethoxy)spiro[2,7-dihydropyrazolo[3,4-b]pyridine-4,3'-indole]-5-carbonitrile.
What is the SMILES notation for 6-amino-1',3-dimethyl-2'-oxo-5'-(trifluoromethoxy)spiro[2,7-dihydropyrazolo[3,4-b]pyridine-4,3'-indole]-5-carbonitrile?
The canonical SMILES for 6-amino-1',3-dimethyl-2'-oxo-5'-(trifluoromethoxy)spiro[2,7-dihydropyrazolo[3,4-b]pyridine-4,3'-indole]-5-carbonitrile is Cc1[nH]nc2c1C1(C(=O)N(C)c3ccc(OC(F)(F)F)cc31)C(C#N)=C(N)N2.
What is the InChIKey of 6-amino-1',3-dimethyl-2'-oxo-5'-(trifluoromethoxy)spiro[2,7-dihydropyrazolo[3,4-b]pyridine-4,3'-indole]-5-carbonitrile?
The InChIKey is CRIZPUGEWGISQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N6O2/c1-7-12-14(25-24-7)23-13(22)10(6-21)16(12)9-5-8(28-17(18,19)20)3-4-11(9)26(2)15(16)27/h3-5H,22H2,1-2H3,(H2,23,24,25).
What are the key properties of 6-amino-1',3-dimethyl-2'-oxo-5'-(trifluoromethoxy)spiro[2,7-dihydropyrazolo[3,4-b]pyridine-4,3'-indole]-5-carbonitrile?
6-amino-1',3-dimethyl-2'-oxo-5'-(trifluoromethoxy)spiro[2,7-dihydropyrazolo[3,4-b]pyridine-4,3'-indole]-5-carbonitrile has a molecular weight of 390.33 g/mol, XLogP of 2.00, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1',3-dimethyl-2'-oxo-5'-(trifluoromethoxy)spiro[2,7-dihydropyrazolo[3,4-b]pyridine-4,3'-indole]-5-carbonitrile is sourced from PubChem (CID 162669124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).