5-[2-(2-ethyl-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H27FN6O2 — CID 67500904

IUPAC5-[2-(2-ethyl-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NCC(C)(C)O)c2n1
InChIInChI=1S/C22H27FN6O2/c1-4-17-15(10-14(23)11-24-17)18-6-5-8-28(18)19-7-9-29-20(27-19)16(12-26-29)21(30)25-13-22(2,3)31/h7,9-12,18,31H,4-6,8,13H2,1-3H3,(H,25,30)
InChIKeyUOGDTYJUQWDKKR-UHFFFAOYSA-N
MW426.50 g/mol
LogP2.67
Rot. Bonds6

About 5-[2-(2-ethyl-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[2-(2-ethyl-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67500904) has the molecular formula C22H27FN6O2 and a molecular weight of 426.50 g/mol. Its IUPAC name is 5-[2-(2-ethyl-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[2-(2-ethyl-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67500904
Molecular FormulaC22H27FN6O2
Molecular Weight426.50 g/mol
Exact Mass426.22
IUPAC Name5-[2-(2-ethyl-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NCC(C)(C)O)c2n1
InChIInChI=1S/C22H27FN6O2/c1-4-17-15(10-14(23)11-24-17)18-6-5-8-28(18)19-7-9-29-20(27-19)16(12-26-29)21(30)25-13-22(2,3)31/h7,9-12,18,31H,4-6,8,13H2,1-3H3,(H,25,30)
InChIKeyUOGDTYJUQWDKKR-UHFFFAOYSA-N
XLogP2.67
TPSA95.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-ethyl-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[2-(2-ethyl-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67500904) is 5-[2-(2-ethyl-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[2-(2-ethyl-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[2-(2-ethyl-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)NCC(C)(C)O)c2n1.
What is the InChIKey of 5-[2-(2-ethyl-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UOGDTYJUQWDKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN6O2/c1-4-17-15(10-14(23)11-24-17)18-6-5-8-28(18)19-7-9-29-20(27-19)16(12-26-29)21(30)25-13-22(2,3)31/h7,9-12,18,31H,4-6,8,13H2,1-3H3,(H,25,30).
What are the key properties of 5-[2-(2-ethyl-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[2-(2-ethyl-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 426.50 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-ethyl-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-N-(2-hydroxy-2-methylpropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67500904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).