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

C23H30N8O5S — CID 121436956

IUPAC4-[[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
SMILESCN(C)C(=O)N1CCC(O)(Cn2cnc3c(cnn3-c3cncc(N4CCS(=O)(=O)CC4)c3)c2=O)CC1
InChIInChI=1S/C23H30N8O5S/c1-27(2)22(33)29-5-3-23(34,4-6-29)15-30-16-25-20-19(21(30)32)14-26-31(20)18-11-17(12-24-13-18)28-7-9-37(35,36)10-8-28/h11-14,16,34H,3-10,15H2,1-2H3
InChIKeyRCMVVZHDXBQFBY-UHFFFAOYSA-N
MW530.61 g/mol
LogP-0.28
Rot. Bonds4

About 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

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 (PubChem CID 121436956) has the molecular formula C23H30N8O5S and a molecular weight of 530.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[[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
PubChem CID121436956
Molecular FormulaC23H30N8O5S
Molecular Weight530.61 g/mol
Exact Mass530.21
IUPAC Name4-[[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
SMILESCN(C)C(=O)N1CCC(O)(Cn2cnc3c(cnn3-c3cncc(N4CCS(=O)(=O)CC4)c3)c2=O)CC1
InChIInChI=1S/C23H30N8O5S/c1-27(2)22(33)29-5-3-23(34,4-6-29)15-30-16-25-20-19(21(30)32)14-26-31(20)18-11-17(12-24-13-18)28-7-9-37(35,36)10-8-28/h11-14,16,34H,3-10,15H2,1-2H3
InChIKeyRCMVVZHDXBQFBY-UHFFFAOYSA-N
XLogP-0.28
TPSA146.76 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.61
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

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
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
1-[3-(4,4-difluoropiperidin-1-yl)phenyl]-5-[[4-hydroxy-1-(1-methylcyclopropanecarbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121436665
1-[4-(3-azaspiro[5.5]undecan-3-yl)phenyl]-5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121436316
3-[3-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]-N,N-dimethylbenzamide
CID 121437026
3-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]-N,N-dimethylbenzamide
CID 121435761
5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-(2,4,6-trimethylphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 121435882
4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylic acid
CID 121436691
1-[4-(4-chlorophenyl)phenyl]-5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121436787
4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxy-N-propan-2-ylpiperidine-1-carboxamide
CID 121456946
propan-2-yl 4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylate
CID 121436924
1-[4-(2,2-difluoro-7-azaspiro[3.5]nonan-7-yl)phenyl]-5-[[4-hydroxy-1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121456878

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)C(=O)N1CCC(O)(Cn2cnc3c(cnn3-c3cncc(N4CCS(=O)(=O)CC4)c3)c2=O)CC1.
What is the InChIKey of 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?
The InChIKey is RCMVVZHDXBQFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8O5S/c1-27(2)22(33)29-5-3-23(34,4-6-29)15-30-16-25-20-19(21(30)32)14-26-31(20)18-11-17(12-24-13-18)28-7-9-37(35,36)10-8-28/h11-14,16,34H,3-10,15H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 530.61 g/mol, XLogP of -0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 121436956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).