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

C22H25FN6O2 — CID 140648217

IUPAC2-[(1R)-1-cyclopropylethyl]-5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC[C@@H](c1nn2ccc(N3CCC[C@@H]3c3cc(F)cn(C)c3=O)nc2c1C(N)=O)C1CC1
InChIInChI=1S/C22H25FN6O2/c1-12(13-5-6-13)19-18(20(24)30)21-25-17(7-9-29(21)26-19)28-8-3-4-16(28)15-10-14(23)11-27(2)22(15)31/h7,9-13,16H,3-6,8H2,1-2H3,(H2,24,30)/t12-,16-/m1/s1
InChIKeyPCCWMUJURRNGME-MLGOLLRUSA-N
MW424.48 g/mol
LogP2.52
Rot. Bonds5

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

2-[(1R)-1-cyclopropylethyl]-5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 140648217) has the molecular formula C22H25FN6O2 and a molecular weight of 424.48 g/mol. Its IUPAC name is 2-[(1R)-1-cyclopropylethyl]-5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-[(1R)-1-cyclopropylethyl]-5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID140648217
Molecular FormulaC22H25FN6O2
Molecular Weight424.48 g/mol
Exact Mass424.20
IUPAC Name2-[(1R)-1-cyclopropylethyl]-5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESC[C@@H](c1nn2ccc(N3CCC[C@@H]3c3cc(F)cn(C)c3=O)nc2c1C(N)=O)C1CC1
InChIInChI=1S/C22H25FN6O2/c1-12(13-5-6-13)19-18(20(24)30)21-25-17(7-9-29(21)26-19)28-8-3-4-16(28)15-10-14(23)11-27(2)22(15)31/h7,9-13,16H,3-6,8H2,1-2H3,(H2,24,30)/t12-,16-/m1/s1
InChIKeyPCCWMUJURRNGME-MLGOLLRUSA-N
XLogP2.52
TPSA98.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-cyclopropylethyl]-5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-[(1R)-1-cyclopropylethyl]-5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 140648217) is 2-[(1R)-1-cyclopropylethyl]-5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-[(1R)-1-cyclopropylethyl]-5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-[(1R)-1-cyclopropylethyl]-5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is C[C@@H](c1nn2ccc(N3CCC[C@@H]3c3cc(F)cn(C)c3=O)nc2c1C(N)=O)C1CC1.
What is the InChIKey of 2-[(1R)-1-cyclopropylethyl]-5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PCCWMUJURRNGME-MLGOLLRUSA-N. The full InChI is InChI=1S/C22H25FN6O2/c1-12(13-5-6-13)19-18(20(24)30)21-25-17(7-9-29(21)26-19)28-8-3-4-16(28)15-10-14(23)11-27(2)22(15)31/h7,9-13,16H,3-6,8H2,1-2H3,(H2,24,30)/t12-,16-/m1/s1.
What are the key properties of 2-[(1R)-1-cyclopropylethyl]-5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-[(1R)-1-cyclopropylethyl]-5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-cyclopropylethyl]-5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 140648217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).