2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

C23H24N4O3 — CID 20880017

IUPAC2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)Cn2ncc3c2-c2ccccc2OC3)CC1
InChIInChI=1S/C23H24N4O3/c1-29-21-9-5-3-7-19(21)25-10-12-26(13-11-25)22(28)15-27-23-17(14-24-27)16-30-20-8-4-2-6-18(20)23/h2-9,14H,10-13,15-16H2,1H3
InChIKeyIIWUEVYAONFGRV-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.80
Rot. Bonds4

About 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone

2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone (PubChem CID 20880017) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
PubChem CID20880017
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
SMILESCOc1ccccc1N1CCN(C(=O)Cn2ncc3c2-c2ccccc2OC3)CC1
InChIInChI=1S/C23H24N4O3/c1-29-21-9-5-3-7-19(21)25-10-12-26(13-11-25)22(28)15-27-23-17(14-24-27)16-30-20-8-4-2-6-18(20)23/h2-9,14H,10-13,15-16H2,1H3
InChIKeyIIWUEVYAONFGRV-UHFFFAOYSA-N
XLogP2.80
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone 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

CID 135308996
CID 135308996
1-[3-[(2-fluorophenyl)methyl]-1,3-diazinan-1-yl]-2-(8-methyl-4H-chromeno[4,3-c]pyrazol-1-yl)ethanone
CID 5307758
1-[1-{2-Hydroxy-3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propyl}-3-(4-iodo-phenyl)-1,4,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-5-yl]-ethanone
CID 10167901
4-(1-(3-(5-acetyl-3-(4-(trifluoromethyl)phenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl)propyl)piperidin-4-yl)-2H-benzo[b][1,4]oxazin-3(4H)-one
CID 10303703
1-[2-[4-(3-Methoxyphenyl)piperazin-1-yl]-2-oxoethyl]chromeno[3,4-d]pyrazol-4-one
CID 16009565
1-[4-[2-(7-Methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-2-phenoxyethanone
CID 127030160
N-[(7-methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)methyl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 127034064
(3S)-3-[2-[(2-fluorophenyl)methyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 135308877
(3S)-3-(2-benzyl-4-oxo-6,7-dihydropyrazolo[4,3-c]pyridin-5-yl)-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 135308904
(3S)-3-[2-[(2,6-difluorophenyl)methyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 135308925
(3S)-3-[2-[(3-fluorophenyl)methyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 135308934
(3S)-3-[2-[(4-fluorophenyl)methyl]-7-oxo-4,5-dihydropyrazolo[3,4-c]pyridin-6-yl]-5-methyl-2,3-dihydro-1,5-benzoxazepin-4-one
CID 135309005

Frequently Asked Questions

What is the IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone (CID 20880017) is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone is COc1ccccc1N1CCN(C(=O)Cn2ncc3c2-c2ccccc2OC3)CC1.
What is the InChIKey of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is IIWUEVYAONFGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-29-21-9-5-3-7-19(21)25-10-12-26(13-11-25)22(28)15-27-23-17(14-24-27)16-30-20-8-4-2-6-18(20)23/h2-9,14H,10-13,15-16H2,1H3.
What are the key properties of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone?
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 404.47 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 20880017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).