2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)ethanone

C23H24N4O2 — CID 20882060

IUPAC2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)ethanone
SMILESCc1ccc2c(c1)-c1c(cnn1CC(=O)N1CCCCC1c1cccnc1)CO2
InChIInChI=1S/C23H24N4O2/c1-16-7-8-21-19(11-16)23-18(15-29-21)13-25-27(23)14-22(28)26-10-3-2-6-20(26)17-5-4-9-24-12-17/h4-5,7-9,11-13,20H,2-3,6,10,14-15H2,1H3
InChIKeyIXLBXKGDGABYJA-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.90
Rot. Bonds3

About 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)ethanone

2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)ethanone (PubChem CID 20882060) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)ethanone
PubChem CID20882060
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)ethanone
SMILESCc1ccc2c(c1)-c1c(cnn1CC(=O)N1CCCCC1c1cccnc1)CO2
InChIInChI=1S/C23H24N4O2/c1-16-7-8-21-19(11-16)23-18(15-29-21)13-25-27(23)14-22(28)26-10-3-2-6-20(26)17-5-4-9-24-12-17/h4-5,7-9,11-13,20H,2-3,6,10,14-15H2,1H3
InChIKeyIXLBXKGDGABYJA-UHFFFAOYSA-N
XLogP3.90
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)ethanone with MolForge

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Related Compounds

N-cyclohexyl-N-methyl-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
CID 6620132
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-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
CID 14619396
1-[(2S)-2-pyridin-3-ylpiperidin-1-yl]pentan-1-one
CID 3046833
3-(3,5-dimethylpyrazol-1-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)propan-1-one
CID 163091248
4-oxo-4-(2-pyridin-3-ylpiperidin-1-yl)butanoic acid;hydrochloride
CID 52993705
morpholin-4-yl-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 3810055
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)acetamide
CID 20882050
7,8-dimethoxy-2-[2-oxo-2-(2-pyridin-3-ylpiperidin-1-yl)ethyl]phthalazin-1-one
CID 162864521
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]propan-1-one
CID 124835282
1-[(2R)-2-pyridin-3-ylpiperidin-1-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 97205497

Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)ethanone (CID 20882060) is 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)ethanone is Cc1ccc2c(c1)-c1c(cnn1CC(=O)N1CCCCC1c1cccnc1)CO2.
What is the InChIKey of 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)ethanone?
The InChIKey is IXLBXKGDGABYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-16-7-8-21-19(11-16)23-18(15-29-21)13-25-27(23)14-22(28)26-10-3-2-6-20(26)17-5-4-9-24-12-17/h4-5,7-9,11-13,20H,2-3,6,10,14-15H2,1H3.
What are the key properties of 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)ethanone?
2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)ethanone has a molecular weight of 388.47 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2-pyridin-3-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 20882060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).