7-bromo-N-(2,4-dichlorophenyl)-N-piperidin-1-yl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride

C22H20BrCl3N4O2 — CID 69164000

IUPAC7-bromo-N-(2,4-dichlorophenyl)-N-piperidin-1-yl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride
SMILESCl.O=C(c1[nH]nc2c1COc1cc(Br)ccc1-2)N(c1ccc(Cl)cc1Cl)N1CCCCC1
InChIInChI=1S/C22H19BrCl2N4O2.ClH/c23-13-4-6-15-19(10-13)31-12-16-20(15)26-27-21(16)22(30)29(28-8-2-1-3-9-28)18-7-5-14(24)11-17(18)25;/h4-7,10-11H,1-3,8-9,12H2,(H,26,27);1H
InChIKeyMVHCWHJXDNOSBP-UHFFFAOYSA-N
MW558.69 g/mol
LogP6.51
Rot. Bonds3

About 7-bromo-N-(2,4-dichlorophenyl)-N-piperidin-1-yl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride

7-bromo-N-(2,4-dichlorophenyl)-N-piperidin-1-yl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride (PubChem CID 69164000) has the molecular formula C22H20BrCl3N4O2 and a molecular weight of 558.69 g/mol. Its IUPAC name is 7-bromo-N-(2,4-dichlorophenyl)-N-piperidin-1-yl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name7-bromo-N-(2,4-dichlorophenyl)-N-piperidin-1-yl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride
PubChem CID69164000
Molecular FormulaC22H20BrCl3N4O2
Molecular Weight558.69 g/mol
Exact Mass555.98
IUPAC Name7-bromo-N-(2,4-dichlorophenyl)-N-piperidin-1-yl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride
SMILESCl.O=C(c1[nH]nc2c1COc1cc(Br)ccc1-2)N(c1ccc(Cl)cc1Cl)N1CCCCC1
InChIInChI=1S/C22H19BrCl2N4O2.ClH/c23-13-4-6-15-19(10-13)31-12-16-20(15)26-27-21(16)22(30)29(28-8-2-1-3-9-28)18-7-5-14(24)11-17(18)25;/h4-7,10-11H,1-3,8-9,12H2,(H,26,27);1H
InChIKeyMVHCWHJXDNOSBP-UHFFFAOYSA-N
XLogP6.51
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.69
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dichlorophenyl)-7-iodo-N-piperidin-1-yl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride
CID 69165691
12-chloro-N-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2,5,11,13-pentaene-5-carboxamide
CID 69163024
N-(2,4-dichlorophenyl)-7-fluoro-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride
CID 69164180
N-(2,4-dichlorophenyl)-7-(4-fluorophenyl)-4,4-dimethyl-N-piperidin-1-yl-2H-chromeno[4,3-c]pyrazole-3-carboxamide
CID 69164163
3-(4-chlorophenyl)-N-(2,4-dichlorophenyl)-4-[(dimethylsulfamoylamino)methyl]-N-piperidin-1-yl-1H-pyrazole-5-carboxamide
CID 123444229
7-bromo-2-(2,4-dichlorophenyl)-3-ethylspiro[chromene-4,1'-cyclohexane];2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid
CID 69163173
7-bromo-2-(2,4-dichlorophenyl)-3-ethylspiro[chromene-4,1'-cyclobutane];2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid
CID 69163460
N-(4-chlorophenyl)-N-methyl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
CID 67304559
8-bromo-4,5-dihydro-2H-[1]benzoxepino[5,4-c]pyrazole-3-carboxamide
CID 82252609
2,4-dihydrochromeno[4,3-c]pyrazol-3-yl(piperidin-1-yl)methanone
CID 166302472
9-bromo-4,5-dihydro-2H-[1]benzoxepino[5,4-c]pyrazole-3-carboxamide
CID 82252608
N-(azepan-1-yl)-7-chloro-1-(2,4-dichlorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
CID 24968637

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(2,4-dichlorophenyl)-N-piperidin-1-yl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 7-bromo-N-(2,4-dichlorophenyl)-N-piperidin-1-yl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride (CID 69164000) is 7-bromo-N-(2,4-dichlorophenyl)-N-piperidin-1-yl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 7-bromo-N-(2,4-dichlorophenyl)-N-piperidin-1-yl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 7-bromo-N-(2,4-dichlorophenyl)-N-piperidin-1-yl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride is Cl.O=C(c1[nH]nc2c1COc1cc(Br)ccc1-2)N(c1ccc(Cl)cc1Cl)N1CCCCC1.
What is the InChIKey of 7-bromo-N-(2,4-dichlorophenyl)-N-piperidin-1-yl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride?
The InChIKey is MVHCWHJXDNOSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrCl2N4O2.ClH/c23-13-4-6-15-19(10-13)31-12-16-20(15)26-27-21(16)22(30)29(28-8-2-1-3-9-28)18-7-5-14(24)11-17(18)25;/h4-7,10-11H,1-3,8-9,12H2,(H,26,27);1H.
What are the key properties of 7-bromo-N-(2,4-dichlorophenyl)-N-piperidin-1-yl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride?
7-bromo-N-(2,4-dichlorophenyl)-N-piperidin-1-yl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride has a molecular weight of 558.69 g/mol, XLogP of 6.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(2,4-dichlorophenyl)-N-piperidin-1-yl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 69164000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).