3,7,7-trimethylspiro[6,8-dihydro-2H-chromeno[2,3-c]pyrazole-4,10'-phenanthrene]-5,9'-dione

C26H22N2O3 — CID 122387230

IUPAC3,7,7-trimethylspiro[6,8-dihydro-2H-chromeno[2,3-c]pyrazole-4,10'-phenanthrene]-5,9'-dione
SMILESCc1[nH]nc2c1C1(C(=O)c3ccccc3-c3ccccc31)C1=C(CC(C)(C)CC1=O)O2
InChIInChI=1S/C26H22N2O3/c1-14-21-24(28-27-14)31-20-13-25(2,3)12-19(29)22(20)26(21)18-11-7-6-9-16(18)15-8-4-5-10-17(15)23(26)30/h4-11H,12-13H2,1-3H3,(H,27,28)
InChIKeyNRWBGJDSGKTJJB-UHFFFAOYSA-N
MW410.47 g/mol
LogP4.90
Rot. Bonds

About 3,7,7-trimethylspiro[6,8-dihydro-2H-chromeno[2,3-c]pyrazole-4,10'-phenanthrene]-5,9'-dione

3,7,7-trimethylspiro[6,8-dihydro-2H-chromeno[2,3-c]pyrazole-4,10'-phenanthrene]-5,9'-dione (PubChem CID 122387230) has the molecular formula C26H22N2O3 and a molecular weight of 410.47 g/mol. Its IUPAC name is 3,7,7-trimethylspiro[6,8-dihydro-2H-chromeno[2,3-c]pyrazole-4,10'-phenanthrene]-5,9'-dione.

Molecular Properties

Compound Name3,7,7-trimethylspiro[6,8-dihydro-2H-chromeno[2,3-c]pyrazole-4,10'-phenanthrene]-5,9'-dione
PubChem CID122387230
Molecular FormulaC26H22N2O3
Molecular Weight410.47 g/mol
Exact Mass410.16
IUPAC Name3,7,7-trimethylspiro[6,8-dihydro-2H-chromeno[2,3-c]pyrazole-4,10'-phenanthrene]-5,9'-dione
SMILESCc1[nH]nc2c1C1(C(=O)c3ccccc3-c3ccccc31)C1=C(CC(C)(C)CC1=O)O2
InChIInChI=1S/C26H22N2O3/c1-14-21-24(28-27-14)31-20-13-25(2,3)12-19(29)22(20)26(21)18-11-7-6-9-16(18)15-8-4-5-10-17(15)23(26)30/h4-11H,12-13H2,1-3H3,(H,27,28)
InChIKeyNRWBGJDSGKTJJB-UHFFFAOYSA-N
XLogP4.90
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2',8',8'-trimethylspiro[1H-indole-3,5'-7,9-dihydro-3H-chromeno[2,3-d]pyrimidine]-2,4',6'-trione
CID 46901853
6-amino-3-methylspiro[2H-pyrano[2,3-c]pyrazole-4,9'-fluorene]-5-carbonitrile
CID 12924203
3,4,7,7-tetramethyl-4-[2-(trifluoromethyl)phenyl]-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
CID 136980425
4-ethyl-3,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one
CID 157118494
(4bS,9bS)-4b,9b-dihydroxy-7,7-dimethyl-6,8-dihydroindeno[1,2-b][1]benzofuran-9,10-dione
CID 928506
(3R)-2'-amino-4-bromo-5,7',7'-trimethyl-2,5'-dioxospiro[1H-indole-3,4'-6,8-dihydrochromene]-3'-carbonitrile
CID 1099087
methyl (4R)-2-amino-6',6'-dimethyl-2',4'-dioxospiro[1H-quinoline-4,3'-5,7-dihydro-1-benzofuran]-3-carboxylate
CID 29055384
13-phenylspiro[17-oxa-14,15-diazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,12,15-hexaene-11,3'-1H-indole]-2',8,9-trione
CID 122227207
4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-4-(3-isocyanophenyl)-3,4,7,7-tetramethyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4R)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one;(4S)-3,4,7,7-tetramethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one
CID 159739816
methyl 6'-amino-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carboxylate
CID 3520149
2-[(4R)-2-amino-3-cyano-7,7-dimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-1'-yl]acetic acid
CID 27308423
(4R)-2-amino-1'-[(4-fluorophenyl)methyl]-7,7-dimethyl-2',5-dioxospiro[6,8-dihydrochromene-4,3'-indole]-3-carbonitrile
CID 27308428

Frequently Asked Questions

What is the IUPAC name of 3,7,7-trimethylspiro[6,8-dihydro-2H-chromeno[2,3-c]pyrazole-4,10'-phenanthrene]-5,9'-dione?
The IUPAC name of 3,7,7-trimethylspiro[6,8-dihydro-2H-chromeno[2,3-c]pyrazole-4,10'-phenanthrene]-5,9'-dione (CID 122387230) is 3,7,7-trimethylspiro[6,8-dihydro-2H-chromeno[2,3-c]pyrazole-4,10'-phenanthrene]-5,9'-dione.
What is the SMILES notation for 3,7,7-trimethylspiro[6,8-dihydro-2H-chromeno[2,3-c]pyrazole-4,10'-phenanthrene]-5,9'-dione?
The canonical SMILES for 3,7,7-trimethylspiro[6,8-dihydro-2H-chromeno[2,3-c]pyrazole-4,10'-phenanthrene]-5,9'-dione is Cc1[nH]nc2c1C1(C(=O)c3ccccc3-c3ccccc31)C1=C(CC(C)(C)CC1=O)O2.
What is the InChIKey of 3,7,7-trimethylspiro[6,8-dihydro-2H-chromeno[2,3-c]pyrazole-4,10'-phenanthrene]-5,9'-dione?
The InChIKey is NRWBGJDSGKTJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N2O3/c1-14-21-24(28-27-14)31-20-13-25(2,3)12-19(29)22(20)26(21)18-11-7-6-9-16(18)15-8-4-5-10-17(15)23(26)30/h4-11H,12-13H2,1-3H3,(H,27,28).
What are the key properties of 3,7,7-trimethylspiro[6,8-dihydro-2H-chromeno[2,3-c]pyrazole-4,10'-phenanthrene]-5,9'-dione?
3,7,7-trimethylspiro[6,8-dihydro-2H-chromeno[2,3-c]pyrazole-4,10'-phenanthrene]-5,9'-dione has a molecular weight of 410.47 g/mol, XLogP of 4.90, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,7-trimethylspiro[6,8-dihydro-2H-chromeno[2,3-c]pyrazole-4,10'-phenanthrene]-5,9'-dione is sourced from PubChem (CID 122387230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).