N-hydroxy-3-[3-methyl-4-[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrrolidin-1-yl]cyclobutane-1-carboxamide

C20H28N6O4 — CID 136985307

IUPACN-hydroxy-3-[3-methyl-4-[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrrolidin-1-yl]cyclobutane-1-carboxamide
SMILESCC1CN(C2CC(C(=O)NO)C2)CC1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1
InChIInChI=1S/C20H28N6O4/c1-11-9-25(14-6-12(7-14)19(27)24-29)10-16(11)17-22-18-15(20(28)23-17)8-21-26(18)13-2-4-30-5-3-13/h8,11-14,16,29H,2-7,9-10H2,1H3,(H,24,27)(H,22,23,28)
InChIKeyGJDPWMMXMANLGQ-UHFFFAOYSA-N
MW416.48 g/mol
LogP0.79
Rot. Bonds4

About N-hydroxy-3-[3-methyl-4-[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrrolidin-1-yl]cyclobutane-1-carboxamide

N-hydroxy-3-[3-methyl-4-[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrrolidin-1-yl]cyclobutane-1-carboxamide (PubChem CID 136985307) has the molecular formula C20H28N6O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-hydroxy-3-[3-methyl-4-[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrrolidin-1-yl]cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-hydroxy-3-[3-methyl-4-[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrrolidin-1-yl]cyclobutane-1-carboxamide
PubChem CID136985307
Molecular FormulaC20H28N6O4
Molecular Weight416.48 g/mol
Exact Mass416.22
IUPAC NameN-hydroxy-3-[3-methyl-4-[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrrolidin-1-yl]cyclobutane-1-carboxamide
SMILESCC1CN(C2CC(C(=O)NO)C2)CC1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1
InChIInChI=1S/C20H28N6O4/c1-11-9-25(14-6-12(7-14)19(27)24-29)10-16(11)17-22-18-15(20(28)23-17)8-21-26(18)13-2-4-30-5-3-13/h8,11-14,16,29H,2-7,9-10H2,1H3,(H,24,27)(H,22,23,28)
InChIKeyGJDPWMMXMANLGQ-UHFFFAOYSA-N
XLogP0.79
TPSA125.37 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-1-[5-[[3-methyl-4-[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrrolidin-1-yl]methyl]pyrimidin-2-yl]piperidine-4-carboxamide
CID 136645380
6-(4-methylpyrrolidin-3-yl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136959572
methyl 4-[[(3R,4R)-3-methyl-4-[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrrolidin-1-yl]methyl]benzoate
CID 136959456
6-[(3S,4S)-4-ethylpyrrolidin-3-yl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;hydron;chloride
CID 173048906
1-(oxan-4-yl)-6-[(1S)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137100350
ethane;1-[5-[[3-methyl-4-[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrrolidin-1-yl]methyl]pyrimidin-2-yl]piperidine-4-carboxamide;propane
CID 145129154
6-[(3S,4S)-4-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135886510
N-hydroxy-1-[4-[1-[1-[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]ethyl]azetidin-3-yl]oxyphenyl]piperidine-4-carboxamide
CID 136645382
cis-(1S,2R)-2-[1-(4,4-difluorocyclohexyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-N-[(Z)-ethylideneamino]cyclobutane-1-carboxamide
CID 137138384
3-[[(3S,4S)-3-ethyl-4-[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrrolidin-1-yl]methyl]benzonitrile
CID 135886519
1-(oxan-4-yl)-6-(oxetan-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137255798
1-(4,4-difluorocyclohexyl)-6-[2-[hydroxy(morpholin-4-yl)methyl]cyclohexyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137022472

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[3-methyl-4-[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrrolidin-1-yl]cyclobutane-1-carboxamide?
The IUPAC name of N-hydroxy-3-[3-methyl-4-[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrrolidin-1-yl]cyclobutane-1-carboxamide (CID 136985307) is N-hydroxy-3-[3-methyl-4-[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrrolidin-1-yl]cyclobutane-1-carboxamide.
What is the SMILES notation for N-hydroxy-3-[3-methyl-4-[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrrolidin-1-yl]cyclobutane-1-carboxamide?
The canonical SMILES for N-hydroxy-3-[3-methyl-4-[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrrolidin-1-yl]cyclobutane-1-carboxamide is CC1CN(C2CC(C(=O)NO)C2)CC1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1.
What is the InChIKey of N-hydroxy-3-[3-methyl-4-[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrrolidin-1-yl]cyclobutane-1-carboxamide?
The InChIKey is GJDPWMMXMANLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O4/c1-11-9-25(14-6-12(7-14)19(27)24-29)10-16(11)17-22-18-15(20(28)23-17)8-21-26(18)13-2-4-30-5-3-13/h8,11-14,16,29H,2-7,9-10H2,1H3,(H,24,27)(H,22,23,28).
What are the key properties of N-hydroxy-3-[3-methyl-4-[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrrolidin-1-yl]cyclobutane-1-carboxamide?
N-hydroxy-3-[3-methyl-4-[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrrolidin-1-yl]cyclobutane-1-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[3-methyl-4-[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrrolidin-1-yl]cyclobutane-1-carboxamide is sourced from PubChem (CID 136985307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).