1,8,8-trimethyl-11-(5-phenylthiophen-2-yl)-6,7,9,11-tetrahydropyrazolo[5,4-a]acridin-10-one

C27H25N3OS — CID 140930941

IUPAC1,8,8-trimethyl-11-(5-phenylthiophen-2-yl)-6,7,9,11-tetrahydropyrazolo[5,4-a]acridin-10-one
SMILESCn1ncc2ccc3c(c21)C(c1ccc(-c2ccccc2)s1)C1=C(CC(C)(C)CC1=O)N3
InChIInChI=1S/C27H25N3OS/c1-27(2)13-19-23(20(31)14-27)25(22-12-11-21(32-22)16-7-5-4-6-8-16)24-18(29-19)10-9-17-15-28-30(3)26(17)24/h4-12,15,25,29H,13-14H2,1-3H3
InChIKeyPOGSBZYTHMSGAD-UHFFFAOYSA-N
MW439.58 g/mol
LogP6.50
Rot. Bonds2

About 1,8,8-trimethyl-11-(5-phenylthiophen-2-yl)-6,7,9,11-tetrahydropyrazolo[5,4-a]acridin-10-one

1,8,8-trimethyl-11-(5-phenylthiophen-2-yl)-6,7,9,11-tetrahydropyrazolo[5,4-a]acridin-10-one (PubChem CID 140930941) has the molecular formula C27H25N3OS and a molecular weight of 439.58 g/mol. Its IUPAC name is 1,8,8-trimethyl-11-(5-phenylthiophen-2-yl)-6,7,9,11-tetrahydropyrazolo[5,4-a]acridin-10-one.

Molecular Properties

Compound Name1,8,8-trimethyl-11-(5-phenylthiophen-2-yl)-6,7,9,11-tetrahydropyrazolo[5,4-a]acridin-10-one
PubChem CID140930941
Molecular FormulaC27H25N3OS
Molecular Weight439.58 g/mol
Exact Mass439.17
IUPAC Name1,8,8-trimethyl-11-(5-phenylthiophen-2-yl)-6,7,9,11-tetrahydropyrazolo[5,4-a]acridin-10-one
SMILESCn1ncc2ccc3c(c21)C(c1ccc(-c2ccccc2)s1)C1=C(CC(C)(C)CC1=O)N3
InChIInChI=1S/C27H25N3OS/c1-27(2)13-19-23(20(31)14-27)25(22-12-11-21(32-22)16-7-5-4-6-8-16)24-18(29-19)10-9-17-15-28-30(3)26(17)24/h4-12,15,25,29H,13-14H2,1-3H3
InChIKeyPOGSBZYTHMSGAD-UHFFFAOYSA-N
XLogP6.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.58
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,8,8-trimethyl-11-(5-phenylthiophen-2-yl)-6,7,9,11-tetrahydropyrazolo[5,4-a]acridin-10-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(12S)-12-(5-bromothiophen-2-yl)-9,9-dimethyl-7,8,10,12-tetrahydrobenzo[a]acridin-11-one
CID 40871248
9,9-dimethyl-12-(5-thiophen-2-ylthiophen-2-yl)-7,8,10,12-tetrahydropyrazino[2,3-a]acridin-11-one
CID 140930896
9,9-dimethyl-12-thiophen-2-yl-7,8,10,12-tetrahydrobenzo[a]acridin-11-one
CID 2945972
(12R)-9,9-dimethyl-12-naphthalen-1-yl-7,8,10,12-tetrahydrobenzo[a]acridin-11-one
CID 7231056
12-(5-chlorothiophen-2-yl)-9,9-dimethyl-7,8,10,12-tetrahydropyrimido[5,4-a]acridin-11-one
CID 135360400
9,9-dimethyl-12-(4-methylphenyl)-7,8,10,12-tetrahydrobenzo[a]acridin-11-one;ethane
CID 169270874
8,8-dimethyl-5-(5-methylthiophen-2-yl)-2-propan-2-ylsulfanyl-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinoline-4,6-dione
CID 135535121
7,7-dimethyl-3,4-diphenyl-4,6,8,9-tetrahydro-2H-pyrazolo[3,4-b]quinolin-5-one
CID 135833484
11-(5-isocyanothiophen-2-yl)-8,8-dimethyl-6,7,9,11-tetrahydro-3H-imidazo[4,5-a]acridin-10-one
CID 140930907
12-(1-benzothiophen-2-yl)-9,9-dimethyl-3,4,7,8,10,12-hexahydrobenzo[a]acridin-11-one
CID 145288336
8,8-dimethyl-5-(5-methylthiophen-2-yl)-2-propylsulfanyl-5,7,9,10-tetrahydro-3H-pyrimido[4,5-b]quinoline-4,6-dione
CID 135535167
(4S)-7,7-dimethyl-2-phenyl-4-thiophen-2-yl-4,6,8,9-tetrahydro-1H-pyrazolo[3,4-b]quinoline-3,5-dione
CID 1086591

Frequently Asked Questions

What is the IUPAC name of 1,8,8-trimethyl-11-(5-phenylthiophen-2-yl)-6,7,9,11-tetrahydropyrazolo[5,4-a]acridin-10-one?
The IUPAC name of 1,8,8-trimethyl-11-(5-phenylthiophen-2-yl)-6,7,9,11-tetrahydropyrazolo[5,4-a]acridin-10-one (CID 140930941) is 1,8,8-trimethyl-11-(5-phenylthiophen-2-yl)-6,7,9,11-tetrahydropyrazolo[5,4-a]acridin-10-one.
What is the SMILES notation for 1,8,8-trimethyl-11-(5-phenylthiophen-2-yl)-6,7,9,11-tetrahydropyrazolo[5,4-a]acridin-10-one?
The canonical SMILES for 1,8,8-trimethyl-11-(5-phenylthiophen-2-yl)-6,7,9,11-tetrahydropyrazolo[5,4-a]acridin-10-one is Cn1ncc2ccc3c(c21)C(c1ccc(-c2ccccc2)s1)C1=C(CC(C)(C)CC1=O)N3.
What is the InChIKey of 1,8,8-trimethyl-11-(5-phenylthiophen-2-yl)-6,7,9,11-tetrahydropyrazolo[5,4-a]acridin-10-one?
The InChIKey is POGSBZYTHMSGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3OS/c1-27(2)13-19-23(20(31)14-27)25(22-12-11-21(32-22)16-7-5-4-6-8-16)24-18(29-19)10-9-17-15-28-30(3)26(17)24/h4-12,15,25,29H,13-14H2,1-3H3.
What are the key properties of 1,8,8-trimethyl-11-(5-phenylthiophen-2-yl)-6,7,9,11-tetrahydropyrazolo[5,4-a]acridin-10-one?
1,8,8-trimethyl-11-(5-phenylthiophen-2-yl)-6,7,9,11-tetrahydropyrazolo[5,4-a]acridin-10-one has a molecular weight of 439.58 g/mol, XLogP of 6.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8,8-trimethyl-11-(5-phenylthiophen-2-yl)-6,7,9,11-tetrahydropyrazolo[5,4-a]acridin-10-one is sourced from PubChem (CID 140930941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).