(4R)-6-amino-3,3'-dimethyl-5'-oxo-1,1'-diphenylspiro[pyrano[3,2-d]pyrazole-4,4'-pyrazole]-5-carbonitrile

C23H18N6O2 — CID 9497606

IUPAC(4R)-6-amino-3,3'-dimethyl-5'-oxo-1,1'-diphenylspiro[pyrano[3,2-d]pyrazole-4,4'-pyrazole]-5-carbonitrile
SMILESCC1=NN(c2ccccc2)C(=O)[C@]12C(C#N)=C(N)Oc1c2c(C)nn1-c1ccccc1
InChIInChI=1S/C23H18N6O2/c1-14-19-21(28(26-14)16-9-5-3-6-10-16)31-20(25)18(13-24)23(19)15(2)27-29(22(23)30)17-11-7-4-8-12-17/h3-12H,25H2,1-2H3/t23-/m0/s1
InChIKeyZOVZYWZELHIRLH-QHCPKHFHSA-N
MW410.44 g/mol
LogP2.93
Rot. Bonds2

About (4R)-6-amino-3,3'-dimethyl-5'-oxo-1,1'-diphenylspiro[pyrano[3,2-d]pyrazole-4,4'-pyrazole]-5-carbonitrile

(4R)-6-amino-3,3'-dimethyl-5'-oxo-1,1'-diphenylspiro[pyrano[3,2-d]pyrazole-4,4'-pyrazole]-5-carbonitrile (PubChem CID 9497606) has the molecular formula C23H18N6O2 and a molecular weight of 410.44 g/mol. Its IUPAC name is (4R)-6-amino-3,3'-dimethyl-5'-oxo-1,1'-diphenylspiro[pyrano[3,2-d]pyrazole-4,4'-pyrazole]-5-carbonitrile.

Molecular Properties

Compound Name(4R)-6-amino-3,3'-dimethyl-5'-oxo-1,1'-diphenylspiro[pyrano[3,2-d]pyrazole-4,4'-pyrazole]-5-carbonitrile
PubChem CID9497606
Molecular FormulaC23H18N6O2
Molecular Weight410.44 g/mol
Exact Mass410.15
IUPAC Name(4R)-6-amino-3,3'-dimethyl-5'-oxo-1,1'-diphenylspiro[pyrano[3,2-d]pyrazole-4,4'-pyrazole]-5-carbonitrile
SMILESCC1=NN(c2ccccc2)C(=O)[C@]12C(C#N)=C(N)Oc1c2c(C)nn1-c1ccccc1
InChIInChI=1S/C23H18N6O2/c1-14-19-21(28(26-14)16-9-5-3-6-10-16)31-20(25)18(13-24)23(19)15(2)27-29(22(23)30)17-11-7-4-8-12-17/h3-12H,25H2,1-2H3/t23-/m0/s1
InChIKeyZOVZYWZELHIRLH-QHCPKHFHSA-N
XLogP2.93
TPSA109.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-amino-3,3'-dimethyl-5'-oxo-1,1'-diphenylspiro[pyrano[3,2-d]pyrazole-4,4'-pyrazole]-5-carbonitrile?
The IUPAC name of (4R)-6-amino-3,3'-dimethyl-5'-oxo-1,1'-diphenylspiro[pyrano[3,2-d]pyrazole-4,4'-pyrazole]-5-carbonitrile (CID 9497606) is (4R)-6-amino-3,3'-dimethyl-5'-oxo-1,1'-diphenylspiro[pyrano[3,2-d]pyrazole-4,4'-pyrazole]-5-carbonitrile.
What is the SMILES notation for (4R)-6-amino-3,3'-dimethyl-5'-oxo-1,1'-diphenylspiro[pyrano[3,2-d]pyrazole-4,4'-pyrazole]-5-carbonitrile?
The canonical SMILES for (4R)-6-amino-3,3'-dimethyl-5'-oxo-1,1'-diphenylspiro[pyrano[3,2-d]pyrazole-4,4'-pyrazole]-5-carbonitrile is CC1=NN(c2ccccc2)C(=O)[C@]12C(C#N)=C(N)Oc1c2c(C)nn1-c1ccccc1.
What is the InChIKey of (4R)-6-amino-3,3'-dimethyl-5'-oxo-1,1'-diphenylspiro[pyrano[3,2-d]pyrazole-4,4'-pyrazole]-5-carbonitrile?
The InChIKey is ZOVZYWZELHIRLH-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H18N6O2/c1-14-19-21(28(26-14)16-9-5-3-6-10-16)31-20(25)18(13-24)23(19)15(2)27-29(22(23)30)17-11-7-4-8-12-17/h3-12H,25H2,1-2H3/t23-/m0/s1.
What are the key properties of (4R)-6-amino-3,3'-dimethyl-5'-oxo-1,1'-diphenylspiro[pyrano[3,2-d]pyrazole-4,4'-pyrazole]-5-carbonitrile?
(4R)-6-amino-3,3'-dimethyl-5'-oxo-1,1'-diphenylspiro[pyrano[3,2-d]pyrazole-4,4'-pyrazole]-5-carbonitrile has a molecular weight of 410.44 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-amino-3,3'-dimethyl-5'-oxo-1,1'-diphenylspiro[pyrano[3,2-d]pyrazole-4,4'-pyrazole]-5-carbonitrile is sourced from PubChem (CID 9497606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).