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

C22H20Cl3IN4O2 — CID 69165691

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

N-(2,4-dichlorophenyl)-7-iodo-N-piperidin-1-yl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride (PubChem CID 69165691) has the molecular formula C22H20Cl3IN4O2 and a molecular weight of 605.69 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-7-iodo-N-piperidin-1-yl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-(2,4-dichlorophenyl)-7-iodo-N-piperidin-1-yl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride
• PubChem CID: 69165691
• Molecular Formula: C22H20Cl3IN4O2
• Molecular Weight: 605.69 g/mol
• Exact Mass: 603.97
• IUPAC Name: N-(2,4-dichlorophenyl)-7-iodo-N-piperidin-1-yl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride
• SMILES: Cl.O=C(c1[nH]nc2c1COc1cc(I)ccc1-2)N(c1ccc(Cl)cc1Cl)N1CCCCC1
• InChI: InChI=1S/C22H19Cl2IN4O2.ClH/c23-13-4-7-18(17(24)10-13)29(28-8-2-1-3-9-28)22(30)21-16-12-31-19-11-14(25)5-6-15(19)20(16)26-27-21;/h4-7,10-11H,1-3,8-9,12H2,(H,26,27);1H
• InChIKey: KGHDSWQLZGHGMS-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 61.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	605.69
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-7-iodo-N-piperidin-1-yl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride?

The IUPAC name of N-(2,4-dichlorophenyl)-7-iodo-N-piperidin-1-yl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride (CID 69165691) is N-(2,4-dichlorophenyl)-7-iodo-N-piperidin-1-yl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride.

What is the SMILES notation for N-(2,4-dichlorophenyl)-7-iodo-N-piperidin-1-yl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride?

The canonical SMILES for N-(2,4-dichlorophenyl)-7-iodo-N-piperidin-1-yl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride is Cl.O=C(c1[nH]nc2c1COc1cc(I)ccc1-2)N(c1ccc(Cl)cc1Cl)N1CCCCC1.

What is the InChIKey of N-(2,4-dichlorophenyl)-7-iodo-N-piperidin-1-yl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride?

The InChIKey is KGHDSWQLZGHGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2IN4O2.ClH/c23-13-4-7-18(17(24)10-13)29(28-8-2-1-3-9-28)22(30)21-16-12-31-19-11-14(25)5-6-15(19)20(16)26-27-21;/h4-7,10-11H,1-3,8-9,12H2,(H,26,27);1H.

What are the key properties of N-(2,4-dichlorophenyl)-7-iodo-N-piperidin-1-yl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride?

N-(2,4-dichlorophenyl)-7-iodo-N-piperidin-1-yl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride has a molecular weight of 605.69 g/mol, XLogP of 6.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-dichlorophenyl)-7-iodo-N-piperidin-1-yl-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 69165691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).