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

C22H20FN7O2 — CID 67500909

IUPAC5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)Nc4cccnc4)c3n2)c1=O
InChIInChI=1S/C22H20FN7O2/c1-28-13-14(23)10-16(22(28)32)18-5-3-8-29(18)19-6-9-30-20(27-19)17(12-25-30)21(31)26-15-4-2-7-24-11-15/h2,4,6-7,9-13,18H,3,5,8H2,1H3,(H,26,31)/t18-/m1/s1
InChIKeyXURYENAZODILKN-GOSISDBHSA-N
MW433.45 g/mol
LogP2.56
Rot. Bonds4

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

5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67500909) has the molecular formula C22H20FN7O2 and a molecular weight of 433.45 g/mol. Its IUPAC name is 5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67500909
Molecular FormulaC22H20FN7O2
Molecular Weight433.45 g/mol
Exact Mass433.17
IUPAC Name5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)Nc4cccnc4)c3n2)c1=O
InChIInChI=1S/C22H20FN7O2/c1-28-13-14(23)10-16(22(28)32)18-5-3-8-29(18)19-6-9-30-20(27-19)17(12-25-30)21(31)26-15-4-2-7-24-11-15/h2,4,6-7,9-13,18H,3,5,8H2,1H3,(H,26,31)/t18-/m1/s1
InChIKeyXURYENAZODILKN-GOSISDBHSA-N
XLogP2.56
TPSA97.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
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-pyridin-3-ylpyrazolo[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-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67500909) is 5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]-N-pyridin-3-ylpyrazolo[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-pyridin-3-ylpyrazolo[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-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)Nc4cccnc4)c3n2)c1=O.
What is the InChIKey of 5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XURYENAZODILKN-GOSISDBHSA-N. The full InChI is InChI=1S/C22H20FN7O2/c1-28-13-14(23)10-16(22(28)32)18-5-3-8-29(18)19-6-9-30-20(27-19)17(12-25-30)21(31)26-15-4-2-7-24-11-15/h2,4,6-7,9-13,18H,3,5,8H2,1H3,(H,26,31)/t18-/m1/s1.
What are the key properties of 5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(2R)-2-(5-fluoro-1-methyl-2-oxo-3-pyridinyl)pyrrolidin-1-yl]-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 433.45 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 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-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67500909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).