6-chloro-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride

C22H20Cl4N4O2 — CID 24967574

IUPAC6-chloro-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1COc1c(Cl)cccc1-2
InChIInChI=1S/C22H19Cl3N4O2.ClH/c23-13-7-8-18(17(25)11-13)29-20-14-5-4-6-16(24)21(14)31-12-15(20)19(26-29)22(30)27-28-9-2-1-3-10-28;/h4-8,11H,1-3,9-10,12H2,(H,27,30);1H
InChIKeyZPPFGQDDGQODJA-UHFFFAOYSA-N
MW514.24 g/mol
LogP5.94
Rot. Bonds3

About 6-chloro-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride

6-chloro-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride (PubChem CID 24967574) has the molecular formula C22H20Cl4N4O2 and a molecular weight of 514.24 g/mol. Its IUPAC name is 6-chloro-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name6-chloro-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
PubChem CID24967574
Molecular FormulaC22H20Cl4N4O2
Molecular Weight514.24 g/mol
Exact Mass512.03
IUPAC Name6-chloro-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1COc1c(Cl)cccc1-2
InChIInChI=1S/C22H19Cl3N4O2.ClH/c23-13-7-8-18(17(25)11-13)29-20-14-5-4-6-16(24)21(14)31-12-15(20)19(26-29)22(30)27-28-9-2-1-3-10-28;/h4-8,11H,1-3,9-10,12H2,(H,27,30);1H
InChIKeyZPPFGQDDGQODJA-UHFFFAOYSA-N
XLogP5.94
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.24
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 24968637
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CID 10994138
1-(2,4-dichlorophenyl)-7-methoxy-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
CID 24965086
1-(2,4-dichlorophenyl)-N-morpholin-4-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
CID 24966851
ethyl 6-chloro-1-(2,4-dichlorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxylate
CID 91402425
7-chloro-1-(2,4-difluorophenyl)-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
CID 24968629
1-(2,4-dichlorophenyl)-5-(2-iodophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
CID 10650406
(7E)-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide
CID 69408702
1-(2,4-dichlorophenyl)-7-methyl-N-pyrrolidin-1-yl-4,5-dihydrothieno[2,3-g]indazole-3-carboxamide
CID 11612069
1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide;hydrochloride
CID 46837031
4-[4-[1-(2,4-dichlorophenyl)-4-methyl-3-(piperidin-1-ylcarbamoyl)pyrazol-5-yl]phenyl]benzoic acid
CID 155542177
1-(2,4-dichlorophenyl)-5-[4-(hydroxycarbamoyl)phenyl]-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 6-chloro-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride (CID 24967574) is 6-chloro-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 6-chloro-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 6-chloro-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride is Cl.O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1COc1c(Cl)cccc1-2.
What is the InChIKey of 6-chloro-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride?
The InChIKey is ZPPFGQDDGQODJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl3N4O2.ClH/c23-13-7-8-18(17(25)11-13)29-20-14-5-4-6-16(24)21(14)31-12-15(20)19(26-29)22(30)27-28-9-2-1-3-10-28;/h4-8,11H,1-3,9-10,12H2,(H,27,30);1H.
What are the key properties of 6-chloro-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride?
6-chloro-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride has a molecular weight of 514.24 g/mol, XLogP of 5.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 24967574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).