N-(2-chlorophenyl)-N-methyl-2-[methyl-[[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]amino]acetamide

C23H23ClN6O2 — CID 159835534

IUPACN-(2-chlorophenyl)-N-methyl-2-[methyl-[[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]amino]acetamide
SMILESCc1cccc(-n2ncc3c(=O)[nH]c(CN(C)CC(=O)N(C)c4ccccc4Cl)nc32)c1
InChIInChI=1S/C23H23ClN6O2/c1-15-7-6-8-16(11-15)30-22-17(12-25-30)23(32)27-20(26-22)13-28(2)14-21(31)29(3)19-10-5-4-9-18(19)24/h4-12H,13-14H2,1-3H3,(H,26,27,32)
InChIKeyNOADUYKDEWUVKX-UHFFFAOYSA-N
MW450.93 g/mol
LogP3.17
Rot. Bonds6

About N-(2-chlorophenyl)-N-methyl-2-[methyl-[[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]amino]acetamide

N-(2-chlorophenyl)-N-methyl-2-[methyl-[[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]amino]acetamide (PubChem CID 159835534) has the molecular formula C23H23ClN6O2 and a molecular weight of 450.93 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N-methyl-2-[methyl-[[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N-methyl-2-[methyl-[[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]amino]acetamide
PubChem CID159835534
Molecular FormulaC23H23ClN6O2
Molecular Weight450.93 g/mol
Exact Mass450.16
IUPAC NameN-(2-chlorophenyl)-N-methyl-2-[methyl-[[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]amino]acetamide
SMILESCc1cccc(-n2ncc3c(=O)[nH]c(CN(C)CC(=O)N(C)c4ccccc4Cl)nc32)c1
InChIInChI=1S/C23H23ClN6O2/c1-15-7-6-8-16(11-15)30-22-17(12-25-30)23(32)27-20(26-22)13-28(2)14-21(31)29(3)19-10-5-4-9-18(19)24/h4-12H,13-14H2,1-3H3,(H,26,27,32)
InChIKeyNOADUYKDEWUVKX-UHFFFAOYSA-N
XLogP3.17
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-[[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]-N-phenylacetamide
CID 136637970
1-(3-methylphenyl)-6-methylsulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136637867
6-[(3,4-dichlorophenyl)methylsulfanyl]-1-(3-methylphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136637990
1-(3-methylphenyl)-6-(2-oxo-2-piperidin-1-ylethyl)sulfanyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136637879
N-(3-fluorophenyl)-N-methyl-2-[methyl-[(7-methyl-4-oxo-3H-quinazolin-2-yl)methyl]amino]acetamide
CID 166514753
N-(2-methylphenyl)-2-[[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]acetamide
CID 136637888
6-(chloromethyl)-1-(3-methoxyphenyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166514772
N-[2-(dimethylamino)-2-oxoethyl]-3-(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)propanamide
CID 135733150
6-[(3-methylphenyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137274759
1-(3-chlorophenyl)-6-(3-oxobutan-2-ylsulfanyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137174486
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[(4-oxo-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)sulfanyl]acetamide
CID 135903915
2-[[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]-N-prop-2-enylacetamide
CID 136637973

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N-methyl-2-[methyl-[[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]amino]acetamide?
The IUPAC name of N-(2-chlorophenyl)-N-methyl-2-[methyl-[[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]amino]acetamide (CID 159835534) is N-(2-chlorophenyl)-N-methyl-2-[methyl-[[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]amino]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-N-methyl-2-[methyl-[[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]amino]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-N-methyl-2-[methyl-[[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]amino]acetamide is Cc1cccc(-n2ncc3c(=O)[nH]c(CN(C)CC(=O)N(C)c4ccccc4Cl)nc32)c1.
What is the InChIKey of N-(2-chlorophenyl)-N-methyl-2-[methyl-[[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]amino]acetamide?
The InChIKey is NOADUYKDEWUVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O2/c1-15-7-6-8-16(11-15)30-22-17(12-25-30)23(32)27-20(26-22)13-28(2)14-21(31)29(3)19-10-5-4-9-18(19)24/h4-12H,13-14H2,1-3H3,(H,26,27,32).
What are the key properties of N-(2-chlorophenyl)-N-methyl-2-[methyl-[[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]amino]acetamide?
N-(2-chlorophenyl)-N-methyl-2-[methyl-[[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]amino]acetamide has a molecular weight of 450.93 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N-methyl-2-[methyl-[[1-(3-methylphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]methyl]amino]acetamide is sourced from PubChem (CID 159835534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).