6-[4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H26N4O4 — CID 78084834

IUPAC6-[4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2ncc(C(=O)N3CCC(O)(C4CCOCC4)C(C)C3)c(=O)n2[nH]1
InChIInChI=1S/C19H26N4O4/c1-12-11-22(6-5-19(12,26)14-3-7-27-8-4-14)17(24)15-10-20-16-9-13(2)21-23(16)18(15)25/h9-10,12,14,21,26H,3-8,11H2,1-2H3
InChIKeyYWYQHUWZUBHOGT-UHFFFAOYSA-N
MW374.44 g/mol
LogP0.97
Rot. Bonds2

About 6-[4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-[4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 78084834) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 6-[4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-[4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID78084834
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name6-[4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2ncc(C(=O)N3CCC(O)(C4CCOCC4)C(C)C3)c(=O)n2[nH]1
InChIInChI=1S/C19H26N4O4/c1-12-11-22(6-5-19(12,26)14-3-7-27-8-4-14)17(24)15-10-20-16-9-13(2)21-23(16)18(15)25/h9-10,12,14,21,26H,3-8,11H2,1-2H3
InChIKeyYWYQHUWZUBHOGT-UHFFFAOYSA-N
XLogP0.97
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

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Related Compounds

2-{2-[(3R*,4R*)-4-hydroxy-3-methyl-4-(tetrahydro-2H-pyran-4-yl)piperidin-1-yl]-2-oxoethyl}-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-ol
CID 70731155
6-{[(3R*,4R*)-4-hydroxy-3-methyl-4-(tetrahydro-2H-pyran-4-yl)piperidin-1-yl]carbonyl}-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 70764501
6-{[(3R*,4R*)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]carbonyl}-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 70775237
6-{[(3R*,5R*)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidin-1-yl]carbonyl}-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 70777490
6-[(3S,5S)-3-[(dimethylamino)methyl]-5-(hydroxymethyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 133113251
6-[4-(1-hydroxycyclopropyl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 138386954
6-{[rel-(2R,4R)-4-hydroxy-2-isopropyl-1-oxa-9-azaspiro[5.5]undec-9-yl]carbonyl}-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 154570209
6-[(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undec-9-yl)carbonyl]-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 163313674
6-{[rel-(6S,11S)-11-hydroxy-8-methyl-2,8-diazaspiro[5.5]undec-2-yl]carbonyl}-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one formate
CID 165428406

Frequently Asked Questions

What is the IUPAC name of 6-[4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-[4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 78084834) is 6-[4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-[4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-[4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2ncc(C(=O)N3CCC(O)(C4CCOCC4)C(C)C3)c(=O)n2[nH]1.
What is the InChIKey of 6-[4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YWYQHUWZUBHOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-12-11-22(6-5-19(12,26)14-3-7-27-8-4-14)17(24)15-10-20-16-9-13(2)21-23(16)18(15)25/h9-10,12,14,21,26H,3-8,11H2,1-2H3.
What are the key properties of 6-[4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-[4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 374.44 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-hydroxy-3-methyl-4-(oxan-4-yl)piperidine-1-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 78084834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).