5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(6-oxo-1H-pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H20FN7O3 — CID 67500484

IUPAC5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(6-oxo-1H-pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3ccc(=O)[nH]c3)c2n1
InChIInChI=1S/C22H20FN7O3/c1-33-22-15(9-13(23)10-25-22)17-3-2-7-29(17)18-6-8-30-20(28-18)16(12-26-30)21(32)27-14-4-5-19(31)24-11-14/h4-6,8-12,17H,2-3,7H2,1H3,(H,24,31)(H,27,32)/t17-/m1/s1
InChIKeyVEJZPSCYDZCQLW-QGZVFWFLSA-N
MW449.45 g/mol
LogP2.55
Rot. Bonds5

About 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(6-oxo-1H-pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(6-oxo-1H-pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67500484) has the molecular formula C22H20FN7O3 and a molecular weight of 449.45 g/mol. Its IUPAC name is 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(6-oxo-1H-pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(6-oxo-1H-pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67500484
Molecular FormulaC22H20FN7O3
Molecular Weight449.45 g/mol
Exact Mass449.16
IUPAC Name5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(6-oxo-1H-pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3ccc(=O)[nH]c3)c2n1
InChIInChI=1S/C22H20FN7O3/c1-33-22-15(9-13(23)10-25-22)17-3-2-7-29(17)18-6-8-30-20(28-18)16(12-26-30)21(32)27-14-4-5-19(31)24-11-14/h4-6,8-12,17H,2-3,7H2,1H3,(H,24,31)(H,27,32)/t17-/m1/s1
InChIKeyVEJZPSCYDZCQLW-QGZVFWFLSA-N
XLogP2.55
TPSA117.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.45
LogP ≤ 52.55
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-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(6-oxo-1H-pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(6-oxo-1H-pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67500484) is 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(6-oxo-1H-pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(6-oxo-1H-pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(6-oxo-1H-pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)Nc3ccc(=O)[nH]c3)c2n1.
What is the InChIKey of 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(6-oxo-1H-pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VEJZPSCYDZCQLW-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H20FN7O3/c1-33-22-15(9-13(23)10-25-22)17-3-2-7-29(17)18-6-8-30-20(28-18)16(12-26-30)21(32)27-14-4-5-19(31)24-11-14/h4-6,8-12,17H,2-3,7H2,1H3,(H,24,31)(H,27,32)/t17-/m1/s1.
What are the key properties of 5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(6-oxo-1H-pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(2R)-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(6-oxo-1H-pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 449.45 g/mol, XLogP of 2.55, 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-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-N-(6-oxo-1H-pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67500484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).