(5S,6R,7R)-5'-methyl-2',5,7-triphenylspiro[1,2,5,7-tetrahydropyrazolo[1,2-a]pyrazole-6,4'-pyrazole]-3,3'-dione

C27H24N4O2 — CID 162417041

IUPAC(5S,6R,7R)-5'-methyl-2',5,7-triphenylspiro[1,2,5,7-tetrahydropyrazolo[1,2-a]pyrazole-6,4'-pyrazole]-3,3'-dione
SMILESCC1=NN(c2ccccc2)C(=O)[C@]12[C@H](c1ccccc1)N1C(=O)CCN1[C@@H]2c1ccccc1
InChIInChI=1S/C27H24N4O2/c1-19-27(26(33)30(28-19)22-15-9-4-10-16-22)24(20-11-5-2-6-12-20)29-18-17-23(32)31(29)25(27)21-13-7-3-8-14-21/h2-16,24-25H,17-18H2,1H3/t24-,25+,27-/m1/s1
InChIKeyZUSBXGGCACKLOL-CMTIAEDTSA-N
MW436.52 g/mol
LogP4.34
Rot. Bonds3

About (5S,6R,7R)-5'-methyl-2',5,7-triphenylspiro[1,2,5,7-tetrahydropyrazolo[1,2-a]pyrazole-6,4'-pyrazole]-3,3'-dione

(5S,6R,7R)-5'-methyl-2',5,7-triphenylspiro[1,2,5,7-tetrahydropyrazolo[1,2-a]pyrazole-6,4'-pyrazole]-3,3'-dione (PubChem CID 162417041) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is (5S,6R,7R)-5'-methyl-2',5,7-triphenylspiro[1,2,5,7-tetrahydropyrazolo[1,2-a]pyrazole-6,4'-pyrazole]-3,3'-dione.

Molecular Properties

Compound Name(5S,6R,7R)-5'-methyl-2',5,7-triphenylspiro[1,2,5,7-tetrahydropyrazolo[1,2-a]pyrazole-6,4'-pyrazole]-3,3'-dione
PubChem CID162417041
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC Name(5S,6R,7R)-5'-methyl-2',5,7-triphenylspiro[1,2,5,7-tetrahydropyrazolo[1,2-a]pyrazole-6,4'-pyrazole]-3,3'-dione
SMILESCC1=NN(c2ccccc2)C(=O)[C@]12[C@H](c1ccccc1)N1C(=O)CCN1[C@@H]2c1ccccc1
InChIInChI=1S/C27H24N4O2/c1-19-27(26(33)30(28-19)22-15-9-4-10-16-22)24(20-11-5-2-6-12-20)29-18-17-23(32)31(29)25(27)21-13-7-3-8-14-21/h2-16,24-25H,17-18H2,1H3/t24-,25+,27-/m1/s1
InChIKeyZUSBXGGCACKLOL-CMTIAEDTSA-N
XLogP4.34
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5S,6R,7R)-5'-methyl-2',5,7-triphenylspiro[1,2,5,7-tetrahydropyrazolo[1,2-a]pyrazole-6,4'-pyrazole]-3,3'-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S,6R,7R)-5'-methyl-2',5,7-triphenylspiro[1,2,5,7-tetrahydropyrazolo[1,2-a]pyrazole-6,4'-pyrazole]-3,3'-dione?
The IUPAC name of (5S,6R,7R)-5'-methyl-2',5,7-triphenylspiro[1,2,5,7-tetrahydropyrazolo[1,2-a]pyrazole-6,4'-pyrazole]-3,3'-dione (CID 162417041) is (5S,6R,7R)-5'-methyl-2',5,7-triphenylspiro[1,2,5,7-tetrahydropyrazolo[1,2-a]pyrazole-6,4'-pyrazole]-3,3'-dione.
What is the SMILES notation for (5S,6R,7R)-5'-methyl-2',5,7-triphenylspiro[1,2,5,7-tetrahydropyrazolo[1,2-a]pyrazole-6,4'-pyrazole]-3,3'-dione?
The canonical SMILES for (5S,6R,7R)-5'-methyl-2',5,7-triphenylspiro[1,2,5,7-tetrahydropyrazolo[1,2-a]pyrazole-6,4'-pyrazole]-3,3'-dione is CC1=NN(c2ccccc2)C(=O)[C@]12[C@H](c1ccccc1)N1C(=O)CCN1[C@@H]2c1ccccc1.
What is the InChIKey of (5S,6R,7R)-5'-methyl-2',5,7-triphenylspiro[1,2,5,7-tetrahydropyrazolo[1,2-a]pyrazole-6,4'-pyrazole]-3,3'-dione?
The InChIKey is ZUSBXGGCACKLOL-CMTIAEDTSA-N. The full InChI is InChI=1S/C27H24N4O2/c1-19-27(26(33)30(28-19)22-15-9-4-10-16-22)24(20-11-5-2-6-12-20)29-18-17-23(32)31(29)25(27)21-13-7-3-8-14-21/h2-16,24-25H,17-18H2,1H3/t24-,25+,27-/m1/s1.
What are the key properties of (5S,6R,7R)-5'-methyl-2',5,7-triphenylspiro[1,2,5,7-tetrahydropyrazolo[1,2-a]pyrazole-6,4'-pyrazole]-3,3'-dione?
(5S,6R,7R)-5'-methyl-2',5,7-triphenylspiro[1,2,5,7-tetrahydropyrazolo[1,2-a]pyrazole-6,4'-pyrazole]-3,3'-dione has a molecular weight of 436.52 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6R,7R)-5'-methyl-2',5,7-triphenylspiro[1,2,5,7-tetrahydropyrazolo[1,2-a]pyrazole-6,4'-pyrazole]-3,3'-dione is sourced from PubChem (CID 162417041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).