4-[[1-[5-[4-(dimethylcarbamoyl)phenyl]-3-pyridinyl]-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide

C28H32N8O4 — CID 121436976

IUPAC4-[[1-[5-[4-(dimethylcarbamoyl)phenyl]-3-pyridinyl]-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2cncc(-n3ncc4c(=O)n(CC5(O)CCN(C(=O)N(C)C)CC5)cnc43)c2)cc1
InChIInChI=1S/C28H32N8O4/c1-32(2)25(37)20-7-5-19(6-8-20)21-13-22(15-29-14-21)36-24-23(16-31-36)26(38)35(18-30-24)17-28(40)9-11-34(12-10-28)27(39)33(3)4/h5-8,13-16,18,40H,9-12,17H2,1-4H3
InChIKeyNTVIOCWFFKNAED-UHFFFAOYSA-N
MW544.62 g/mol
LogP1.85
Rot. Bonds5

About 4-[[1-[5-[4-(dimethylcarbamoyl)phenyl]-3-pyridinyl]-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide

4-[[1-[5-[4-(dimethylcarbamoyl)phenyl]-3-pyridinyl]-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 121436976) has the molecular formula C28H32N8O4 and a molecular weight of 544.62 g/mol. Its IUPAC name is 4-[[1-[5-[4-(dimethylcarbamoyl)phenyl]-3-pyridinyl]-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[1-[5-[4-(dimethylcarbamoyl)phenyl]-3-pyridinyl]-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide
PubChem CID121436976
Molecular FormulaC28H32N8O4
Molecular Weight544.62 g/mol
Exact Mass544.25
IUPAC Name4-[[1-[5-[4-(dimethylcarbamoyl)phenyl]-3-pyridinyl]-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2cncc(-n3ncc4c(=O)n(CC5(O)CCN(C(=O)N(C)C)CC5)cnc43)c2)cc1
InChIInChI=1S/C28H32N8O4/c1-32(2)25(37)20-7-5-19(6-8-20)21-13-22(15-29-14-21)36-24-23(16-31-36)26(38)35(18-30-24)17-28(40)9-11-34(12-10-28)27(39)33(3)4/h5-8,13-16,18,40H,9-12,17H2,1-4H3
InChIKeyNTVIOCWFFKNAED-UHFFFAOYSA-N
XLogP1.85
TPSA129.69 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.62
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-[[1-[5-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide
CID 121436956
4-hydroxy-4-[[1-[4-(4-hydroxy-4-methylpiperidin-1-yl)phenyl]-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-N,N-dimethylpiperidine-1-carboxamide
CID 121436374
3-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]-N,N-dimethylbenzamide
CID 121435761
3-[3-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]-N,N-dimethylbenzamide
CID 121437026
5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-[3-[4-(pyrrolidine-1-carbonyl)phenyl]phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121436558
5-[[1-(6-fluoropyridine-3-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-(4-phenylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 121435814
1-[4-(4-chlorophenyl)phenyl]-5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121436787
5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-[4-(3,5-difluorophenyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121435967
5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-[4-(1-methylpyrazol-4-yl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121435763
5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-[4-(3-pyrrolidin-1-ylphenyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121457085
5-[[4-hydroxy-1-[(3R)-3-pyrazol-1-ylbutanoyl]piperidin-4-yl]methyl]-1-(4-phenylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 121436175
5-[[1-(2,3-dihydro-1-benzofuran-5-carbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 121456833

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[5-[4-(dimethylcarbamoyl)phenyl]-3-pyridinyl]-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-[[1-[5-[4-(dimethylcarbamoyl)phenyl]-3-pyridinyl]-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide (CID 121436976) is 4-[[1-[5-[4-(dimethylcarbamoyl)phenyl]-3-pyridinyl]-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[1-[5-[4-(dimethylcarbamoyl)phenyl]-3-pyridinyl]-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[1-[5-[4-(dimethylcarbamoyl)phenyl]-3-pyridinyl]-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)c1ccc(-c2cncc(-n3ncc4c(=O)n(CC5(O)CCN(C(=O)N(C)C)CC5)cnc43)c2)cc1.
What is the InChIKey of 4-[[1-[5-[4-(dimethylcarbamoyl)phenyl]-3-pyridinyl]-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is NTVIOCWFFKNAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N8O4/c1-32(2)25(37)20-7-5-19(6-8-20)21-13-22(15-29-14-21)36-24-23(16-31-36)26(38)35(18-30-24)17-28(40)9-11-34(12-10-28)27(39)33(3)4/h5-8,13-16,18,40H,9-12,17H2,1-4H3.
What are the key properties of 4-[[1-[5-[4-(dimethylcarbamoyl)phenyl]-3-pyridinyl]-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide?
4-[[1-[5-[4-(dimethylcarbamoyl)phenyl]-3-pyridinyl]-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 544.62 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[5-[4-(dimethylcarbamoyl)phenyl]-3-pyridinyl]-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxy-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 121436976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).