5-[(3,4-dichlorophenyl)methylamino]-1-[1-(4-methoxypyridine-3-carbonyl)piperidin-4-yl]-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride

C24H24Cl3N7O3 — CID 154941872

About 5-[(3,4-dichlorophenyl)methylamino]-1-[1-(4-methoxypyridine-3-carbonyl)piperidin-4-yl]-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride

5-[(3,4-dichlorophenyl)methylamino]-1-[1-(4-methoxypyridine-3-carbonyl)piperidin-4-yl]-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride (PubChem CID 154941872) has the molecular formula C24H24Cl3N7O3 and a molecular weight of 564.86 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)methylamino]-1-[1-(4-methoxypyridine-3-carbonyl)piperidin-4-yl]-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride.

Molecular Properties

• Compound Name: 5-[(3,4-dichlorophenyl)methylamino]-1-[1-(4-methoxypyridine-3-carbonyl)piperidin-4-yl]-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride
• PubChem CID: 154941872
• Molecular Formula: C24H24Cl3N7O3
• Molecular Weight: 564.86 g/mol
• Exact Mass: 563.10
• IUPAC Name: 5-[(3,4-dichlorophenyl)methylamino]-1-[1-(4-methoxypyridine-3-carbonyl)piperidin-4-yl]-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride
• SMILES: COc1ccncc1C(=O)N1CCC(n2ncc3nc(NCc4ccc(Cl)c(Cl)c4)[nH]c(=O)c32)CC1.Cl
• InChI: InChI=1S/C24H23Cl2N7O3.ClH/c1-36-20-4-7-27-12-16(20)23(35)32-8-5-15(6-9-32)33-21-19(13-29-33)30-24(31-22(21)34)28-11-14-2-3-17(25)18(26)10-14;/h2-4,7,10,12-13,15H,5-6,8-9,11H2,1H3,(H2,28,30,31,34);1H
• InChIKey: DEOZSLRZNLZQFH-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 118.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.86
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenyl)methylamino]-1-[1-(4-methoxypyridine-3-carbonyl)piperidin-4-yl]-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride?

The IUPAC name of 5-[(3,4-dichlorophenyl)methylamino]-1-[1-(4-methoxypyridine-3-carbonyl)piperidin-4-yl]-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride (CID 154941872) is 5-[(3,4-dichlorophenyl)methylamino]-1-[1-(4-methoxypyridine-3-carbonyl)piperidin-4-yl]-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride.

What is the SMILES notation for 5-[(3,4-dichlorophenyl)methylamino]-1-[1-(4-methoxypyridine-3-carbonyl)piperidin-4-yl]-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride?

The canonical SMILES for 5-[(3,4-dichlorophenyl)methylamino]-1-[1-(4-methoxypyridine-3-carbonyl)piperidin-4-yl]-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride is COc1ccncc1C(=O)N1CCC(n2ncc3nc(NCc4ccc(Cl)c(Cl)c4)[nH]c(=O)c32)CC1.Cl.

What is the InChIKey of 5-[(3,4-dichlorophenyl)methylamino]-1-[1-(4-methoxypyridine-3-carbonyl)piperidin-4-yl]-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride?

The InChIKey is DEOZSLRZNLZQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N7O3.ClH/c1-36-20-4-7-27-12-16(20)23(35)32-8-5-15(6-9-32)33-21-19(13-29-33)30-24(31-22(21)34)28-11-14-2-3-17(25)18(26)10-14;/h2-4,7,10,12-13,15H,5-6,8-9,11H2,1H3,(H2,28,30,31,34);1H.

What are the key properties of 5-[(3,4-dichlorophenyl)methylamino]-1-[1-(4-methoxypyridine-3-carbonyl)piperidin-4-yl]-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride?

5-[(3,4-dichlorophenyl)methylamino]-1-[1-(4-methoxypyridine-3-carbonyl)piperidin-4-yl]-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride has a molecular weight of 564.86 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3,4-dichlorophenyl)methylamino]-1-[1-(4-methoxypyridine-3-carbonyl)piperidin-4-yl]-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride is sourced from PubChem (CID 154941872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).