5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chlorophenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4,7-dihydropyrazolo[3,4-d]pyrimidin-6-one

C27H25Cl2N5O3 — CID 136621315

IUPAC5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chlorophenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4,7-dihydropyrazolo[3,4-d]pyrimidin-6-one
SMILESCOc1ccccc1-n1nc2c(c1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(C)c1)C(=O)N2
InChIInChI=1S/C27H25Cl2N5O3/c1-15(2)23-22-24(16-9-11-17(28)12-10-16)33(18-13-19(29)26(35)32(3)14-18)27(36)30-25(22)31-34(23)20-7-5-6-8-21(20)37-4/h5-15,24H,1-4H3,(H,30,31,36)
InChIKeyKHZBFNXYERJQLG-UHFFFAOYSA-N
MW538.44 g/mol
LogP6.15
Rot. Bonds5

About 5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chlorophenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4,7-dihydropyrazolo[3,4-d]pyrimidin-6-one

5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chlorophenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4,7-dihydropyrazolo[3,4-d]pyrimidin-6-one (PubChem CID 136621315) has the molecular formula C27H25Cl2N5O3 and a molecular weight of 538.44 g/mol. Its IUPAC name is 5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chlorophenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4,7-dihydropyrazolo[3,4-d]pyrimidin-6-one.

Molecular Properties

Compound Name5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chlorophenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4,7-dihydropyrazolo[3,4-d]pyrimidin-6-one
PubChem CID136621315
Molecular FormulaC27H25Cl2N5O3
Molecular Weight538.44 g/mol
Exact Mass537.13
IUPAC Name5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chlorophenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4,7-dihydropyrazolo[3,4-d]pyrimidin-6-one
SMILESCOc1ccccc1-n1nc2c(c1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(C)c1)C(=O)N2
InChIInChI=1S/C27H25Cl2N5O3/c1-15(2)23-22-24(16-9-11-17(28)12-10-16)33(18-13-19(29)26(35)32(3)14-18)27(36)30-25(22)31-34(23)20-7-5-6-8-21(20)37-4/h5-15,24H,1-4H3,(H,30,31,36)
InChIKeyKHZBFNXYERJQLG-UHFFFAOYSA-N
XLogP6.15
TPSA81.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.44
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chlorophenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4,7-dihydropyrazolo[3,4-d]pyrimidin-6-one with MolForge

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Related Compounds

5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4,7-dihydropyrazolo[3,4-d]pyrimidin-6-one
CID 136621322
3-[5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4,7-dihydropyrazolo[3,4-d]pyrimidin-2-yl]-4-methoxybenzonitrile
CID 136621305
6,10-dichloro-17-(2-methoxyphenyl)-4-methyl-16-propan-2-yl-1,4,17,18-tetrazapentacyclo[12.6.0.02,7.08,13.015,19]icosa-2,6,8(13),9,11,15,18-heptaene-5,20-dione
CID 123592349
2-[5-(aminomethyl)-2-methoxyphenyl]-5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chloro-2-methylphenyl)-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 71585278
5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chlorophenyl)-1,3-dimethyl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 86292000
(4R)-4-(4-chlorophenyl)-5-(1,5-dimethyl-6-oxo-3-pyridinyl)-1-(2-methoxy-3-pyridinyl)-3-methyl-4H-pyrrolo[3,4-d]pyrazol-6-one
CID 91826329
4-(4-chlorophenyl)-6,7-dimethoxy-3-phenyl-1,4-dihydroquinazolin-2-one
CID 102384485
[5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-2-yl]-4-methoxypyrimidin-2-yl]-methylcarbamic acid
CID 154403632
3,5-bis(4-chlorophenyl)-1-(2-methoxyphenyl)pyrazole
CID 4575566
5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-chlorophenyl)-1-methyl-2-(1-methyl-2-oxo-4-pyridinyl)-6H-pyrrolo[3,4-b]pyrrol-4-one
CID 122553478
5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-fluorophenyl)-1-methyl-6H-pyrrolo[3,4-b]pyrrol-4-one
CID 122553378
5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-chlorophenyl)-2-[2-(dimethylamino)-4-methoxypyrimidin-5-yl]-4-oxo-1-propan-2-yl-6H-pyrrolo[3,4-b]pyrrole-3-carbonitrile
CID 90058253

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chlorophenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4,7-dihydropyrazolo[3,4-d]pyrimidin-6-one?
The IUPAC name of 5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chlorophenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4,7-dihydropyrazolo[3,4-d]pyrimidin-6-one (CID 136621315) is 5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chlorophenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4,7-dihydropyrazolo[3,4-d]pyrimidin-6-one.
What is the SMILES notation for 5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chlorophenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4,7-dihydropyrazolo[3,4-d]pyrimidin-6-one?
The canonical SMILES for 5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chlorophenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4,7-dihydropyrazolo[3,4-d]pyrimidin-6-one is COc1ccccc1-n1nc2c(c1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(Cl)c(=O)n(C)c1)C(=O)N2.
What is the InChIKey of 5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chlorophenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4,7-dihydropyrazolo[3,4-d]pyrimidin-6-one?
The InChIKey is KHZBFNXYERJQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25Cl2N5O3/c1-15(2)23-22-24(16-9-11-17(28)12-10-16)33(18-13-19(29)26(35)32(3)14-18)27(36)30-25(22)31-34(23)20-7-5-6-8-21(20)37-4/h5-15,24H,1-4H3,(H,30,31,36).
What are the key properties of 5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chlorophenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4,7-dihydropyrazolo[3,4-d]pyrimidin-6-one?
5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chlorophenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4,7-dihydropyrazolo[3,4-d]pyrimidin-6-one has a molecular weight of 538.44 g/mol, XLogP of 6.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-4-(4-chlorophenyl)-2-(2-methoxyphenyl)-3-propan-2-yl-4,7-dihydropyrazolo[3,4-d]pyrimidin-6-one is sourced from PubChem (CID 136621315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).