11-(4-hydroxy-3-methoxyphenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-pyrazolo[4,5-a]acridin-10-one

C23H23N3O3 — CID 164576323

IUPAC11-(4-hydroxy-3-methoxyphenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-pyrazolo[4,5-a]acridin-10-one
SMILESCOc1cc(C2C3=C(CC(C)(C)CC3=O)Nc3ccc4[nH]ncc4c32)ccc1O
InChIInChI=1S/C23H23N3O3/c1-23(2)9-16-22(18(28)10-23)20(12-4-7-17(27)19(8-12)29-3)21-13-11-24-26-14(13)5-6-15(21)25-16/h4-8,11,20,25,27H,9-10H2,1-3H3,(H,24,26)
InChIKeyZYWMRPCIYSICHB-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.48
Rot. Bonds2

About 11-(4-hydroxy-3-methoxyphenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-pyrazolo[4,5-a]acridin-10-one

11-(4-hydroxy-3-methoxyphenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-pyrazolo[4,5-a]acridin-10-one (PubChem CID 164576323) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 11-(4-hydroxy-3-methoxyphenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-pyrazolo[4,5-a]acridin-10-one.

Molecular Properties

Compound Name11-(4-hydroxy-3-methoxyphenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-pyrazolo[4,5-a]acridin-10-one
PubChem CID164576323
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name11-(4-hydroxy-3-methoxyphenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-pyrazolo[4,5-a]acridin-10-one
SMILESCOc1cc(C2C3=C(CC(C)(C)CC3=O)Nc3ccc4[nH]ncc4c32)ccc1O
InChIInChI=1S/C23H23N3O3/c1-23(2)9-16-22(18(28)10-23)20(12-4-7-17(27)19(8-12)29-3)21-13-11-24-26-14(13)5-6-15(21)25-16/h4-8,11,20,25,27H,9-10H2,1-3H3,(H,24,26)
InChIKeyZYWMRPCIYSICHB-UHFFFAOYSA-N
XLogP4.48
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 11-(4-hydroxy-3-methoxyphenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-pyrazolo[4,5-a]acridin-10-one?
The IUPAC name of 11-(4-hydroxy-3-methoxyphenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-pyrazolo[4,5-a]acridin-10-one (CID 164576323) is 11-(4-hydroxy-3-methoxyphenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-pyrazolo[4,5-a]acridin-10-one.
What is the SMILES notation for 11-(4-hydroxy-3-methoxyphenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-pyrazolo[4,5-a]acridin-10-one?
The canonical SMILES for 11-(4-hydroxy-3-methoxyphenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-pyrazolo[4,5-a]acridin-10-one is COc1cc(C2C3=C(CC(C)(C)CC3=O)Nc3ccc4[nH]ncc4c32)ccc1O.
What is the InChIKey of 11-(4-hydroxy-3-methoxyphenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-pyrazolo[4,5-a]acridin-10-one?
The InChIKey is ZYWMRPCIYSICHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-23(2)9-16-22(18(28)10-23)20(12-4-7-17(27)19(8-12)29-3)21-13-11-24-26-14(13)5-6-15(21)25-16/h4-8,11,20,25,27H,9-10H2,1-3H3,(H,24,26).
What are the key properties of 11-(4-hydroxy-3-methoxyphenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-pyrazolo[4,5-a]acridin-10-one?
11-(4-hydroxy-3-methoxyphenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-pyrazolo[4,5-a]acridin-10-one has a molecular weight of 389.46 g/mol, XLogP of 4.48, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(4-hydroxy-3-methoxyphenyl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-pyrazolo[4,5-a]acridin-10-one is sourced from PubChem (CID 164576323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).