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

C22H20Cl2F2N4O2 — CID 24968629

IUPAC7-chloro-1-(2,4-difluorophenyl)-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NN1CCCCC1)c1nn(-c2ccc(F)cc2F)c2c1COc1cc(Cl)ccc1-2
InChIInChI=1S/C22H19ClF2N4O2.ClH/c23-13-4-6-15-19(10-13)31-12-16-20(22(30)27-28-8-2-1-3-9-28)26-29(21(15)16)18-7-5-14(24)11-17(18)25;/h4-7,10-11H,1-3,8-9,12H2,(H,27,30);1H
InChIKeyAPFAKJODMIGEDF-UHFFFAOYSA-N
MW481.33 g/mol
LogP4.92
Rot. Bonds3

About 7-chloro-1-(2,4-difluorophenyl)-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride

7-chloro-1-(2,4-difluorophenyl)-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride (PubChem CID 24968629) has the molecular formula C22H20Cl2F2N4O2 and a molecular weight of 481.33 g/mol. Its IUPAC name is 7-chloro-1-(2,4-difluorophenyl)-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name7-chloro-1-(2,4-difluorophenyl)-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
PubChem CID24968629
Molecular FormulaC22H20Cl2F2N4O2
Molecular Weight481.33 g/mol
Exact Mass480.09
IUPAC Name7-chloro-1-(2,4-difluorophenyl)-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
SMILESCl.O=C(NN1CCCCC1)c1nn(-c2ccc(F)cc2F)c2c1COc1cc(Cl)ccc1-2
InChIInChI=1S/C22H19ClF2N4O2.ClH/c23-13-4-6-15-19(10-13)31-12-16-20(22(30)27-28-8-2-1-3-9-28)26-29(21(15)16)18-7-5-14(24)11-17(18)25;/h4-7,10-11H,1-3,8-9,12H2,(H,27,30);1H
InChIKeyAPFAKJODMIGEDF-UHFFFAOYSA-N
XLogP4.92
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.33
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(azepan-1-yl)-7-chloro-1-(2,4-dichlorophenyl)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
CID 24968637
1-(2,4-dichlorophenyl)-7-methoxy-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
CID 24965086
6-chloro-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
CID 24967574
1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4,5-dihydro-[1]benzoxepino[4,5-d]pyrazole-3-carboxamide
CID 10994138
1-(2,4-dichlorophenyl)-N-morpholin-4-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
CID 24966851
N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(difluoromethoxy)-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
CID 69187221
(7E)-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide
CID 69408702
1-(4-chlorophenyl)-7-[(4-fluorophenyl)methylidene]-N-piperidin-1-yl-4H-pyrano[3,4-d]pyrazole-3-carboxamide
CID 69453741
1-(2,4-dichlorophenyl)-7-[(4-fluorophenyl)methylidene]-5,5-dioxo-N-piperidin-1-yl-4H-thiopyrano[3,4-d]pyrazole-3-carboxamide
CID 73126568
1-(2,4-dichlorophenyl)-8-[(4-fluorophenyl)methylidene]-N-piperidin-1-yl-4,5,6,7-tetrahydropyrazolo[4,5-d]azepine-3-carboxamide
CID 67391152
1-(2,4-difluorophenyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-7-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
CID 46897643
N-(azepan-1-yl)-7-cyano-1-(2,4-dichlorophenyl)-4,4-dimethylchromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
CID 24965082

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(2,4-difluorophenyl)-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 7-chloro-1-(2,4-difluorophenyl)-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride (CID 24968629) is 7-chloro-1-(2,4-difluorophenyl)-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 7-chloro-1-(2,4-difluorophenyl)-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 7-chloro-1-(2,4-difluorophenyl)-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride is Cl.O=C(NN1CCCCC1)c1nn(-c2ccc(F)cc2F)c2c1COc1cc(Cl)ccc1-2.
What is the InChIKey of 7-chloro-1-(2,4-difluorophenyl)-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride?
The InChIKey is APFAKJODMIGEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF2N4O2.ClH/c23-13-4-6-15-19(10-13)31-12-16-20(22(30)27-28-8-2-1-3-9-28)26-29(21(15)16)18-7-5-14(24)11-17(18)25;/h4-7,10-11H,1-3,8-9,12H2,(H,27,30);1H.
What are the key properties of 7-chloro-1-(2,4-difluorophenyl)-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride?
7-chloro-1-(2,4-difluorophenyl)-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride has a molecular weight of 481.33 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(2,4-difluorophenyl)-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 24968629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).