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

C20H26N4O2 — CID 6625136

IUPAC2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
SMILESCC1CCCCN1CCNC(=O)Cn1ncc2c1-c1ccccc1OC2
InChIInChI=1S/C20H26N4O2/c1-15-6-4-5-10-23(15)11-9-21-19(25)13-24-20-16(12-22-24)14-26-18-8-3-2-7-17(18)20/h2-3,7-8,12,15H,4-6,9-11,13-14H2,1H3,(H,21,25)
InChIKeyPOBVLAGIXZIADJ-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.43
Rot. Bonds5

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

2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide (PubChem CID 6625136) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
PubChem CID6625136
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
SMILESCC1CCCCN1CCNC(=O)Cn1ncc2c1-c1ccccc1OC2
InChIInChI=1S/C20H26N4O2/c1-15-6-4-5-10-23(15)11-9-21-19(25)13-24-20-16(12-22-24)14-26-18-8-3-2-7-17(18)20/h2-3,7-8,12,15H,4-6,9-11,13-14H2,1H3,(H,21,25)
InChIKeyPOBVLAGIXZIADJ-UHFFFAOYSA-N
XLogP2.43
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[2-(7-Methoxy-4,4-dimethylchromeno[4,3-c]pyrazol-2-yl)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 127029838
1-[3-[(2-fluorophenyl)methyl]-1,3-diazinan-1-yl]-2-(8-methyl-4H-chromeno[4,3-c]pyrazol-1-yl)ethanone
CID 5307758
N-{2-[4-(2-Fluorophenyl)piperazin-1-YL]ethyl}-2-{4-oxo-1H,4H-chromeno[4,3-C]pyrazol-1-YL}acetamide
CID 5309292
2-(4-oxochromeno[3,4-d]pyrazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 5309822
N-(2-acetamidoethyl)-N-benzyl-8-ethenyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 122657470
N-(2-acetamidoethyl)-N-benzyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 122657485
N-(2-acetamidoethyl)-N-benzyl-8-iodo-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 122657534
N-[(7-methoxy-4,4-dimethylchromeno[3,4-d]pyrazol-1-yl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 127033483
N-{3-[ethyl(3-methylphenyl)amino]propyl}-2-{4-oxo-1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide
CID 5307131
2-{8-Methyl-4-oxo-1H,4H-chromeno[4,3-C]pyrazol-1-YL}-N-[3-(propan-2-yloxy)propyl]acetamide
CID 5307174
N-(3-ethoxypropyl)-2-(4-oxochromeno[3,4-d]pyrazol-1-yl)acetamide
CID 5307334
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-1-(2,3-dihydroindol-1-yl)ethanone
CID 5307830

Frequently Asked Questions

What is the IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide (CID 6625136) is 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide is CC1CCCCN1CCNC(=O)Cn1ncc2c1-c1ccccc1OC2.
What is the InChIKey of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide?
The InChIKey is POBVLAGIXZIADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15-6-4-5-10-23(15)11-9-21-19(25)13-24-20-16(12-22-24)14-26-18-8-3-2-7-17(18)20/h2-3,7-8,12,15H,4-6,9-11,13-14H2,1H3,(H,21,25).
What are the key properties of 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide?
2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4H-chromeno[3,4-d]pyrazol-1-yl)-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 6625136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).