5-methyl-6-(3-oxo-3-piperidin-1-ylpropyl)-2-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C22H33N5O2 — CID 110259276

IUPAC5-methyl-6-(3-oxo-3-piperidin-1-ylpropyl)-2-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc(C3CCN(C(C)C)C3)[nH]n2c(=O)c1CCC(=O)N1CCCCC1
InChIInChI=1S/C22H33N5O2/c1-15(2)26-12-9-17(14-26)19-13-20-23-16(3)18(22(29)27(20)24-19)7-8-21(28)25-10-5-4-6-11-25/h13,15,17,24H,4-12,14H2,1-3H3
InChIKeyQLXSRVMGXCGSTH-UHFFFAOYSA-N
MW399.54 g/mol
LogP2.47
Rot. Bonds5

About 5-methyl-6-(3-oxo-3-piperidin-1-ylpropyl)-2-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-methyl-6-(3-oxo-3-piperidin-1-ylpropyl)-2-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110259276) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 5-methyl-6-(3-oxo-3-piperidin-1-ylpropyl)-2-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-6-(3-oxo-3-piperidin-1-ylpropyl)-2-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110259276
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC Name5-methyl-6-(3-oxo-3-piperidin-1-ylpropyl)-2-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc(C3CCN(C(C)C)C3)[nH]n2c(=O)c1CCC(=O)N1CCCCC1
InChIInChI=1S/C22H33N5O2/c1-15(2)26-12-9-17(14-26)19-13-20-23-16(3)18(22(29)27(20)24-19)7-8-21(28)25-10-5-4-6-11-25/h13,15,17,24H,4-12,14H2,1-3H3
InChIKeyQLXSRVMGXCGSTH-UHFFFAOYSA-N
XLogP2.47
TPSA73.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-6-(3-oxo-3-piperidin-1-ylpropyl)-2-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

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Related Compounds

2-(1-benzoylpyrrolidin-3-yl)-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 127244643
3-[2-[(3R)-1-(cyclohexanecarbonyl)pyrrolidin-3-yl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide
CID 124986576
3-[2-(1-acetylpyrrolidin-3-yl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide
CID 110091516
2-[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]-5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 124972680
6-ethyl-5-methyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214668
5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-[(2S)-1-(thiophen-2-ylmethyl)pyrrolidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 124982212
2-[(2S)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-5-methyl-6-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 124961630
3-[5-methyl-7-oxo-2-[(3R)-1-(1,2-thiazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-6-yl]-N-propan-2-ylpropanamide
CID 124962320
2-[1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]piperidin-3-yl]-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one
CID 110214697
5-methyl-6-(3-oxo-3-pyrrolidin-1-ylpropyl)-2-[(2R)-1-(pyridin-3-ylmethyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 124965663
6-ethyl-5-methyl-2-[1-[4-(2-oxopyrrolidin-1-yl)butanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214677
5,6-dimethyl-2-[1-[3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214564

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-(3-oxo-3-piperidin-1-ylpropyl)-2-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-6-(3-oxo-3-piperidin-1-ylpropyl)-2-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110259276) is 5-methyl-6-(3-oxo-3-piperidin-1-ylpropyl)-2-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-6-(3-oxo-3-piperidin-1-ylpropyl)-2-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-6-(3-oxo-3-piperidin-1-ylpropyl)-2-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2cc(C3CCN(C(C)C)C3)[nH]n2c(=O)c1CCC(=O)N1CCCCC1.
What is the InChIKey of 5-methyl-6-(3-oxo-3-piperidin-1-ylpropyl)-2-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is QLXSRVMGXCGSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2/c1-15(2)26-12-9-17(14-26)19-13-20-23-16(3)18(22(29)27(20)24-19)7-8-21(28)25-10-5-4-6-11-25/h13,15,17,24H,4-12,14H2,1-3H3.
What are the key properties of 5-methyl-6-(3-oxo-3-piperidin-1-ylpropyl)-2-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-methyl-6-(3-oxo-3-piperidin-1-ylpropyl)-2-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 399.54 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-(3-oxo-3-piperidin-1-ylpropyl)-2-(1-propan-2-ylpyrrolidin-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110259276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).