3-[(2R)-1-[3-[(3R)-3-cyclopropylbutanoyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]-5-fluoro-1-methylpyridin-2-one

C23H26FN5O2 — CID 155083923

IUPAC3-[(2R)-1-[3-[(3R)-3-cyclopropylbutanoyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]-5-fluoro-1-methylpyridin-2-one
SMILESC[C@H](CC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cn(C)c3=O)nc12)C1CC1
InChIInChI=1S/C23H26FN5O2/c1-14(15-5-6-15)10-20(30)18-12-25-29-9-7-21(26-22(18)29)28-8-3-4-19(28)17-11-16(24)13-27(2)23(17)31/h7,9,11-15,19H,3-6,8,10H2,1-2H3/t14-,19-/m1/s1
InChIKeyLJJACDMZBDYUTQ-AUUYWEPGSA-N
MW423.49 g/mol
LogP3.53
Rot. Bonds6

About 3-[(2R)-1-[3-[(3R)-3-cyclopropylbutanoyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]-5-fluoro-1-methylpyridin-2-one

3-[(2R)-1-[3-[(3R)-3-cyclopropylbutanoyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]-5-fluoro-1-methylpyridin-2-one (PubChem CID 155083923) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is 3-[(2R)-1-[3-[(3R)-3-cyclopropylbutanoyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]-5-fluoro-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-[(2R)-1-[3-[(3R)-3-cyclopropylbutanoyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]-5-fluoro-1-methylpyridin-2-one
PubChem CID155083923
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC Name3-[(2R)-1-[3-[(3R)-3-cyclopropylbutanoyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]-5-fluoro-1-methylpyridin-2-one
SMILESC[C@H](CC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cn(C)c3=O)nc12)C1CC1
InChIInChI=1S/C23H26FN5O2/c1-14(15-5-6-15)10-20(30)18-12-25-29-9-7-21(26-22(18)29)28-8-3-4-19(28)17-11-16(24)13-27(2)23(17)31/h7,9,11-15,19H,3-6,8,10H2,1-2H3/t14-,19-/m1/s1
InChIKeyLJJACDMZBDYUTQ-AUUYWEPGSA-N
XLogP3.53
TPSA72.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[(2R)-1-[3-[(3R)-3-cyclopropylbutanoyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]-5-fluoro-1-methylpyridin-2-one with MolForge

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Related Compounds

N-[(1R)-1-cyclopropylethyl]-5-[2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67501834
5-[(2R)-2-(5-fluoro-2-methylphenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 68910098
5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67502090
5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67501570
ethyl 5-[(2R)-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 86664567
ethyl 5-[2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 123667329
5-[2-[2-(3-amino-3-methylbutyl)-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 134468455
5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67500608
ethyl 5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 121395070
ethyl 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 86664565
5-[(2R)-2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67500247
5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]-N-(1-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 67500249

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-[3-[(3R)-3-cyclopropylbutanoyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]-5-fluoro-1-methylpyridin-2-one?
The IUPAC name of 3-[(2R)-1-[3-[(3R)-3-cyclopropylbutanoyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]-5-fluoro-1-methylpyridin-2-one (CID 155083923) is 3-[(2R)-1-[3-[(3R)-3-cyclopropylbutanoyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]-5-fluoro-1-methylpyridin-2-one.
What is the SMILES notation for 3-[(2R)-1-[3-[(3R)-3-cyclopropylbutanoyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]-5-fluoro-1-methylpyridin-2-one?
The canonical SMILES for 3-[(2R)-1-[3-[(3R)-3-cyclopropylbutanoyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]-5-fluoro-1-methylpyridin-2-one is C[C@H](CC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cn(C)c3=O)nc12)C1CC1.
What is the InChIKey of 3-[(2R)-1-[3-[(3R)-3-cyclopropylbutanoyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]-5-fluoro-1-methylpyridin-2-one?
The InChIKey is LJJACDMZBDYUTQ-AUUYWEPGSA-N. The full InChI is InChI=1S/C23H26FN5O2/c1-14(15-5-6-15)10-20(30)18-12-25-29-9-7-21(26-22(18)29)28-8-3-4-19(28)17-11-16(24)13-27(2)23(17)31/h7,9,11-15,19H,3-6,8,10H2,1-2H3/t14-,19-/m1/s1.
What are the key properties of 3-[(2R)-1-[3-[(3R)-3-cyclopropylbutanoyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]-5-fluoro-1-methylpyridin-2-one?
3-[(2R)-1-[3-[(3R)-3-cyclopropylbutanoyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]-5-fluoro-1-methylpyridin-2-one has a molecular weight of 423.49 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-[3-[(3R)-3-cyclopropylbutanoyl]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]-5-fluoro-1-methylpyridin-2-one is sourced from PubChem (CID 155083923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).