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

C18H21N3O2 — CID 20880024

IUPAC2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)Cn2ncc3c2-c2ccccc2OC3)C1
InChIInChI=1S/C18H21N3O2/c1-13-5-4-8-20(10-13)17(22)11-21-18-14(9-19-21)12-23-16-7-3-2-6-15(16)18/h2-3,6-7,9,13H,4-5,8,10-12H2,1H3
InChIKeyKXTSAHUJBHVMHU-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.70
Rot. Bonds2

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

2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(3-methylpiperidin-1-yl)ethanone (PubChem CID 20880024) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(3-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(3-methylpiperidin-1-yl)ethanone
PubChem CID20880024
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(3-methylpiperidin-1-yl)ethanone
SMILESCC1CCCN(C(=O)Cn2ncc3c2-c2ccccc2OC3)C1
InChIInChI=1S/C18H21N3O2/c1-13-5-4-8-20(10-13)17(22)11-21-18-14(9-19-21)12-23-16-7-3-2-6-15(16)18/h2-3,6-7,9,13H,4-5,8,10-12H2,1H3
InChIKeyKXTSAHUJBHVMHU-UHFFFAOYSA-N
XLogP2.70
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

ethyl 1-[2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetyl]piperidine-3-carboxylate
CID 20880042
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 20880091
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-cycloheptylacetamide
CID 20880033
N-butyl-2-(4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20880030
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 4H-thieno[3,2-c]chromene-2-carboxylate
CID 18104061
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 20880111
1-[3-[(2-fluorophenyl)methyl]-1,3-diazinan-1-yl]-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)ethanone
CID 5307758
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(3,4-dimethylphenyl)-N-methylacetamide
CID 20880071
2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)ethanone
CID 20882060
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 20880043
4,5-dichloro-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 95260207
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetamide
CID 20880159

Frequently Asked Questions

What is the IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(3-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(3-methylpiperidin-1-yl)ethanone (CID 20880024) is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(3-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(3-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(3-methylpiperidin-1-yl)ethanone is CC1CCCN(C(=O)Cn2ncc3c2-c2ccccc2OC3)C1.
What is the InChIKey of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(3-methylpiperidin-1-yl)ethanone?
The InChIKey is KXTSAHUJBHVMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-5-4-8-20(10-13)17(22)11-21-18-14(9-19-21)12-23-16-7-3-2-6-15(16)18/h2-3,6-7,9,13H,4-5,8,10-12H2,1H3.
What are the key properties of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(3-methylpiperidin-1-yl)ethanone?
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(3-methylpiperidin-1-yl)ethanone has a molecular weight of 311.38 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(3-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 20880024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).