5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H29FN6O3 — CID 67502828

IUPAC5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)N[C@H](CO)C(C)(C)C)c3n2)c1=O
InChIInChI=1S/C23H29FN6O3/c1-23(2,3)18(13-31)26-21(32)16-11-25-30-9-7-19(27-20(16)30)29-8-5-6-17(29)15-10-14(24)12-28(4)22(15)33/h7,9-12,17-18,31H,5-6,8,13H2,1-4H3,(H,26,32)/t17-,18-/m1/s1
InChIKeyDXCATLCGJNNZIB-QZTJIDSGSA-N
MW456.52 g/mol
LogP2.05
Rot. Bonds5

About 5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67502828) has the molecular formula C23H29FN6O3 and a molecular weight of 456.52 g/mol. Its IUPAC name is 5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67502828
Molecular FormulaC23H29FN6O3
Molecular Weight456.52 g/mol
Exact Mass456.23
IUPAC Name5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)N[C@H](CO)C(C)(C)C)c3n2)c1=O
InChIInChI=1S/C23H29FN6O3/c1-23(2,3)18(13-31)26-21(32)16-11-25-30-9-7-19(27-20(16)30)29-8-5-6-17(29)15-10-14(24)12-28(4)22(15)33/h7,9-12,17-18,31H,5-6,8,13H2,1-4H3,(H,26,32)/t17-,18-/m1/s1
InChIKeyDXCATLCGJNNZIB-QZTJIDSGSA-N
XLogP2.05
TPSA104.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67502828) is 5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)N[C@H](CO)C(C)(C)C)c3n2)c1=O.
What is the InChIKey of 5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DXCATLCGJNNZIB-QZTJIDSGSA-N. The full InChI is InChI=1S/C23H29FN6O3/c1-23(2,3)18(13-31)26-21(32)16-11-25-30-9-7-19(27-20(16)30)29-8-5-6-17(29)15-10-14(24)12-28(4)22(15)33/h7,9-12,17-18,31H,5-6,8,13H2,1-4H3,(H,26,32)/t17-,18-/m1/s1.
What are the key properties of 5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 456.52 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]-N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67502828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).