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

C23H23Cl3N4O3 — CID 24965086

IUPAC1-(2,4-dichlorophenyl)-7-methoxy-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
SMILESCOc1ccc2c(c1)OCc1c(C(=O)NN3CCCCC3)nn(-c3ccc(Cl)cc3Cl)c1-2.Cl
InChIInChI=1S/C23H22Cl2N4O3.ClH/c1-31-15-6-7-16-20(12-15)32-13-17-21(23(30)27-28-9-3-2-4-10-28)26-29(22(16)17)19-8-5-14(24)11-18(19)25;/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,27,30);1H
InChIKeyBCKWQMGIMCPTBJ-UHFFFAOYSA-N
MW509.82 g/mol
LogP5.30
Rot. Bonds4

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

1-(2,4-dichlorophenyl)-7-methoxy-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride (PubChem CID 24965086) has the molecular formula C23H23Cl3N4O3 and a molecular weight of 509.82 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-7-methoxy-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-7-methoxy-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
PubChem CID24965086
Molecular FormulaC23H23Cl3N4O3
Molecular Weight509.82 g/mol
Exact Mass508.08
IUPAC Name1-(2,4-dichlorophenyl)-7-methoxy-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride
SMILESCOc1ccc2c(c1)OCc1c(C(=O)NN3CCCCC3)nn(-c3ccc(Cl)cc3Cl)c1-2.Cl
InChIInChI=1S/C23H22Cl2N4O3.ClH/c1-31-15-6-7-16-20(12-15)32-13-17-21(23(30)27-28-9-3-2-4-10-28)26-29(22(16)17)19-8-5-14(24)11-18(19)25;/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,27,30);1H
InChIKeyBCKWQMGIMCPTBJ-UHFFFAOYSA-N
XLogP5.30
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.82
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-7-methoxy-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 1-(2,4-dichlorophenyl)-7-methoxy-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride (CID 24965086) is 1-(2,4-dichlorophenyl)-7-methoxy-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-7-methoxy-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(2,4-dichlorophenyl)-7-methoxy-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride is COc1ccc2c(c1)OCc1c(C(=O)NN3CCCCC3)nn(-c3ccc(Cl)cc3Cl)c1-2.Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-7-methoxy-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride?
The InChIKey is BCKWQMGIMCPTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N4O3.ClH/c1-31-15-6-7-16-20(12-15)32-13-17-21(23(30)27-28-9-3-2-4-10-28)26-29(22(16)17)19-8-5-14(24)11-18(19)25;/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,27,30);1H.
What are the key properties of 1-(2,4-dichlorophenyl)-7-methoxy-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride?
1-(2,4-dichlorophenyl)-7-methoxy-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride has a molecular weight of 509.82 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-7-methoxy-N-piperidin-1-yl-4H-chromeno[3,4-d]pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 24965086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).