6',6'-dimethyl-1'-phenylspiro[3a,6a-dihydrofuro[3,4-c]pyrazole-3,5'-7H-indazole]-4,4',6-trione

C19H16N4O4 — CID 155979779

IUPAC6',6'-dimethyl-1'-phenylspiro[3a,6a-dihydrofuro[3,4-c]pyrazole-3,5'-7H-indazole]-4,4',6-trione
SMILESCC1(C)Cc2c(cnn2-c2ccccc2)C(=O)C12N=NC1C(=O)OC(=O)C12
InChIInChI=1S/C19H16N4O4/c1-18(2)8-12-11(9-20-23(12)10-6-4-3-5-7-10)15(24)19(18)13-14(21-22-19)17(26)27-16(13)25/h3-7,9,13-14H,8H2,1-2H3
InChIKeyJHHMBBPOJULBLP-UHFFFAOYSA-N
MW364.36 g/mol
LogP1.91
Rot. Bonds1

About 6',6'-dimethyl-1'-phenylspiro[3a,6a-dihydrofuro[3,4-c]pyrazole-3,5'-7H-indazole]-4,4',6-trione

6',6'-dimethyl-1'-phenylspiro[3a,6a-dihydrofuro[3,4-c]pyrazole-3,5'-7H-indazole]-4,4',6-trione (PubChem CID 155979779) has the molecular formula C19H16N4O4 and a molecular weight of 364.36 g/mol. Its IUPAC name is 6',6'-dimethyl-1'-phenylspiro[3a,6a-dihydrofuro[3,4-c]pyrazole-3,5'-7H-indazole]-4,4',6-trione.

Molecular Properties

Compound Name6',6'-dimethyl-1'-phenylspiro[3a,6a-dihydrofuro[3,4-c]pyrazole-3,5'-7H-indazole]-4,4',6-trione
PubChem CID155979779
Molecular FormulaC19H16N4O4
Molecular Weight364.36 g/mol
Exact Mass364.12
IUPAC Name6',6'-dimethyl-1'-phenylspiro[3a,6a-dihydrofuro[3,4-c]pyrazole-3,5'-7H-indazole]-4,4',6-trione
SMILESCC1(C)Cc2c(cnn2-c2ccccc2)C(=O)C12N=NC1C(=O)OC(=O)C12
InChIInChI=1S/C19H16N4O4/c1-18(2)8-12-11(9-20-23(12)10-6-4-3-5-7-10)15(24)19(18)13-14(21-22-19)17(26)27-16(13)25/h3-7,9,13-14H,8H2,1-2H3
InChIKeyJHHMBBPOJULBLP-UHFFFAOYSA-N
XLogP1.91
TPSA102.98 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-(4-bromo-2-methylanilino)-6,6-dimethyl-1-phenyl-5,7-dihydroindazol-4-one
CID 155979930
20,20-dimethyl-17-phenyl-11,12,16,17-tetrazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-1,4,6,8,10,12,14(18),15-octaen-3-one
CID 6406946
(7R)-7-azido-6,6-dimethyl-1-phenyl-5,7-dihydroindazol-4-one
CID 40522898
4-(6,6-dimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzonitrile
CID 65356247
1-methyl-2,2-dioxo-7-phenylpyrazolo[5,4-c]thiazin-4-one
CID 10612565
N-[(4R)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]methanesulfonamide
CID 97114517
N-(6,6-dimethyl-4-oxo-1-phenyl-5,7-dihydroindazol-7-yl)benzamide
CID 155979739
N-(6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl)prop-2-enamide
CID 102454416
N-[(4S)-6,6-dimethyl-1-phenyl-5,7-dihydro-4H-indazol-4-yl]furan-3-carboxamide
CID 26333048
(6S)-6-(4-methoxyphenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one
CID 7447090
(3aR,4S,7S,7aS)-4,7-dimethyl-2-phenyl-3a,7a-dihydro-4,7-epoxyisoindole-1,3-dione
CID 99721737
3-(5,5-dimethyl-3-phenyl-4H-pyrazolo[4,5-a]carbazol-10-yl)-N,N-dimethylpropan-1-amine
CID 23908960

Frequently Asked Questions

What is the IUPAC name of 6',6'-dimethyl-1'-phenylspiro[3a,6a-dihydrofuro[3,4-c]pyrazole-3,5'-7H-indazole]-4,4',6-trione?
The IUPAC name of 6',6'-dimethyl-1'-phenylspiro[3a,6a-dihydrofuro[3,4-c]pyrazole-3,5'-7H-indazole]-4,4',6-trione (CID 155979779) is 6',6'-dimethyl-1'-phenylspiro[3a,6a-dihydrofuro[3,4-c]pyrazole-3,5'-7H-indazole]-4,4',6-trione.
What is the SMILES notation for 6',6'-dimethyl-1'-phenylspiro[3a,6a-dihydrofuro[3,4-c]pyrazole-3,5'-7H-indazole]-4,4',6-trione?
The canonical SMILES for 6',6'-dimethyl-1'-phenylspiro[3a,6a-dihydrofuro[3,4-c]pyrazole-3,5'-7H-indazole]-4,4',6-trione is CC1(C)Cc2c(cnn2-c2ccccc2)C(=O)C12N=NC1C(=O)OC(=O)C12.
What is the InChIKey of 6',6'-dimethyl-1'-phenylspiro[3a,6a-dihydrofuro[3,4-c]pyrazole-3,5'-7H-indazole]-4,4',6-trione?
The InChIKey is JHHMBBPOJULBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O4/c1-18(2)8-12-11(9-20-23(12)10-6-4-3-5-7-10)15(24)19(18)13-14(21-22-19)17(26)27-16(13)25/h3-7,9,13-14H,8H2,1-2H3.
What are the key properties of 6',6'-dimethyl-1'-phenylspiro[3a,6a-dihydrofuro[3,4-c]pyrazole-3,5'-7H-indazole]-4,4',6-trione?
6',6'-dimethyl-1'-phenylspiro[3a,6a-dihydrofuro[3,4-c]pyrazole-3,5'-7H-indazole]-4,4',6-trione has a molecular weight of 364.36 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6',6'-dimethyl-1'-phenylspiro[3a,6a-dihydrofuro[3,4-c]pyrazole-3,5'-7H-indazole]-4,4',6-trione is sourced from PubChem (CID 155979779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).