N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,2-dimethylpropanamide

C21H23F2N5O — CID 58386339

IUPACN-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12
InChIInChI=1S/C21H23F2N5O/c1-21(2,3)20(29)25-16-12-24-28-10-8-18(26-19(16)28)27-9-4-5-17(27)14-11-13(22)6-7-15(14)23/h6-8,10-12,17H,4-5,9H2,1-3H3,(H,25,29)/t17-/m1/s1
InChIKeySXMHUKHEPKZDDA-QGZVFWFLSA-N
MW399.45 g/mol
LogP4.33
Rot. Bonds3

About N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,2-dimethylpropanamide

N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,2-dimethylpropanamide (PubChem CID 58386339) has the molecular formula C21H23F2N5O and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,2-dimethylpropanamide
PubChem CID58386339
Molecular FormulaC21H23F2N5O
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC NameN-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12
InChIInChI=1S/C21H23F2N5O/c1-21(2,3)20(29)25-16-12-24-28-10-8-18(26-19(16)28)27-9-4-5-17(27)14-11-13(22)6-7-15(14)23/h6-8,10-12,17H,4-5,9H2,1-3H3,(H,25,29)/t17-/m1/s1
InChIKeySXMHUKHEPKZDDA-QGZVFWFLSA-N
XLogP4.33
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,2-dimethylpropanamide (CID 58386339) is N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12.
What is the InChIKey of N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,2-dimethylpropanamide?
The InChIKey is SXMHUKHEPKZDDA-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23F2N5O/c1-21(2,3)20(29)25-16-12-24-28-10-8-18(26-19(16)28)27-9-4-5-17(27)14-11-13(22)6-7-15(14)23/h6-8,10-12,17H,4-5,9H2,1-3H3,(H,25,29)/t17-/m1/s1.
What are the key properties of N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,2-dimethylpropanamide?
N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,2-dimethylpropanamide has a molecular weight of 399.45 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 58386339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).