5-[(3,4-dichlorophenyl)methylamino]-1-[1-(4-methoxypyridine-2-carbonyl)piperidin-4-yl]-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride

C24H24Cl3N7O3 — CID 154606628

IUPAC5-[(3,4-dichlorophenyl)methylamino]-1-[1-(4-methoxypyridine-2-carbonyl)piperidin-4-yl]-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride
SMILESCOc1ccnc(C(=O)N2CCC(n3ncc4nc(NCc5ccc(Cl)c(Cl)c5)[nH]c(=O)c43)CC2)c1.Cl
InChIInChI=1S/C24H23Cl2N7O3.ClH/c1-36-16-4-7-27-19(11-16)23(35)32-8-5-15(6-9-32)33-21-20(13-29-33)30-24(31-22(21)34)28-12-14-2-3-17(25)18(26)10-14;/h2-4,7,10-11,13,15H,5-6,8-9,12H2,1H3,(H2,28,30,31,34);1H
InChIKeyIEFDEAIQJSEYOU-UHFFFAOYSA-N
MW564.86 g/mol
LogP4.34
Rot. Bonds6

About 5-[(3,4-dichlorophenyl)methylamino]-1-[1-(4-methoxypyridine-2-carbonyl)piperidin-4-yl]-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride

5-[(3,4-dichlorophenyl)methylamino]-1-[1-(4-methoxypyridine-2-carbonyl)piperidin-4-yl]-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride (PubChem CID 154606628) 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-2-carbonyl)piperidin-4-yl]-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)methylamino]-1-[1-(4-methoxypyridine-2-carbonyl)piperidin-4-yl]-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride
PubChem CID154606628
Molecular FormulaC24H24Cl3N7O3
Molecular Weight564.86 g/mol
Exact Mass563.10
IUPAC Name5-[(3,4-dichlorophenyl)methylamino]-1-[1-(4-methoxypyridine-2-carbonyl)piperidin-4-yl]-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride
SMILESCOc1ccnc(C(=O)N2CCC(n3ncc4nc(NCc5ccc(Cl)c(Cl)c5)[nH]c(=O)c43)CC2)c1.Cl
InChIInChI=1S/C24H23Cl2N7O3.ClH/c1-36-16-4-7-27-19(11-16)23(35)32-8-5-15(6-9-32)33-21-20(13-29-33)30-24(31-22(21)34)28-12-14-2-3-17(25)18(26)10-14;/h2-4,7,10-11,13,15H,5-6,8-9,12H2,1H3,(H2,28,30,31,34);1H
InChIKeyIEFDEAIQJSEYOU-UHFFFAOYSA-N
XLogP4.34
TPSA118.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.86
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[(3,4-dichlorophenyl)methylamino]-1-[1-(4-methoxypyridine-2-carbonyl)piperidin-4-yl]-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenyl)methylamino]-1-[1-(4-methoxypyridine-2-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-2-carbonyl)piperidin-4-yl]-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride (CID 154606628) is 5-[(3,4-dichlorophenyl)methylamino]-1-[1-(4-methoxypyridine-2-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-2-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-2-carbonyl)piperidin-4-yl]-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride is COc1ccnc(C(=O)N2CCC(n3ncc4nc(NCc5ccc(Cl)c(Cl)c5)[nH]c(=O)c43)CC2)c1.Cl.
What is the InChIKey of 5-[(3,4-dichlorophenyl)methylamino]-1-[1-(4-methoxypyridine-2-carbonyl)piperidin-4-yl]-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride?
The InChIKey is IEFDEAIQJSEYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N7O3.ClH/c1-36-16-4-7-27-19(11-16)23(35)32-8-5-15(6-9-32)33-21-20(13-29-33)30-24(31-22(21)34)28-12-14-2-3-17(25)18(26)10-14;/h2-4,7,10-11,13,15H,5-6,8-9,12H2,1H3,(H2,28,30,31,34);1H.
What are the key properties of 5-[(3,4-dichlorophenyl)methylamino]-1-[1-(4-methoxypyridine-2-carbonyl)piperidin-4-yl]-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride?
5-[(3,4-dichlorophenyl)methylamino]-1-[1-(4-methoxypyridine-2-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-2-carbonyl)piperidin-4-yl]-6H-pyrazolo[4,5-d]pyrimidin-7-one;hydrochloride is sourced from PubChem (CID 154606628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).