(6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C25H28N4O4 — CID 39309736

IUPAC(6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cc2c(cc1OC)-c1c(c(C(=O)N3CCN(c4ccccc4OC)CC3)nn1C)C2
InChIInChI=1S/C25H28N4O4/c1-27-24-17-15-22(33-4)21(32-3)14-16(17)13-18(24)23(26-27)25(30)29-11-9-28(10-12-29)19-7-5-6-8-20(19)31-2/h5-8,14-15H,9-13H2,1-4H3
InChIKeyLEZCHICQGMQDIO-UHFFFAOYSA-N
MW448.52 g/mol
LogP2.98
Rot. Bonds5

About (6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

(6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 39309736) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is (6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID39309736
Molecular FormulaC25H28N4O4
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name(6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cc2c(cc1OC)-c1c(c(C(=O)N3CCN(c4ccccc4OC)CC3)nn1C)C2
InChIInChI=1S/C25H28N4O4/c1-27-24-17-15-22(33-4)21(32-3)14-16(17)13-18(24)23(26-27)25(30)29-11-9-28(10-12-29)19-7-5-6-8-20(19)31-2/h5-8,14-15H,9-13H2,1-4H3
InChIKeyLEZCHICQGMQDIO-UHFFFAOYSA-N
XLogP2.98
TPSA69.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone 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

4-[(6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazole-3-carbonyl)amino]benzoic acid
CID 39378283
N-[(2S)-2-hydroxy-2-phenylethyl]-6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazole-3-carboxamide
CID 39377548
[4-(3,4-dimethoxyphenyl)-1-phenylpyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 16594388
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
2,3-dihydro-1H-inden-5-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 9118183
[4-(2-methoxyphenyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 42153662
6,7-dimethoxy-1-phenyl-4H-indeno[2,1-d]pyrazole-3-carboxylic acid
CID 39377695
(3,4-dihydroxyphenyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 113199237
(1,5-dimethylpyrazol-4-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 51309191
(5-hydroxy-3-pyridinyl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 110854337
[4-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5,6-tetrachloro-2-pyridinyl)methanone
CID 26912380
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 42758562

Frequently Asked Questions

What is the IUPAC name of (6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 39309736) is (6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1cc2c(cc1OC)-c1c(c(C(=O)N3CCN(c4ccccc4OC)CC3)nn1C)C2.
What is the InChIKey of (6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is LEZCHICQGMQDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-27-24-17-15-22(33-4)21(32-3)14-16(17)13-18(24)23(26-27)25(30)29-11-9-28(10-12-29)19-7-5-6-8-20(19)31-2/h5-8,14-15H,9-13H2,1-4H3.
What are the key properties of (6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
(6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 448.52 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethoxy-1-methyl-4H-indeno[2,1-d]pyrazol-3-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 39309736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).