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

C21H24F2N6O — CID 58386335

IUPACN-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12
InChIInChI=1S/C21H24F2N6O/c1-21(2,24-3)20(30)26-16-12-25-29-10-8-18(27-19(16)29)28-9-4-5-17(28)14-11-13(22)6-7-15(14)23/h6-8,10-12,17,24H,4-5,9H2,1-3H3,(H,26,30)/t17-/m1/s1
InChIKeyYHBJBVSIEWTKMO-QGZVFWFLSA-N
MW414.46 g/mol
LogP3.29
Rot. Bonds5

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

N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methyl-2-(methylamino)propanamide (PubChem CID 58386335) has the molecular formula C21H24F2N6O and a molecular weight of 414.46 g/mol. Its IUPAC name is N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methyl-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methyl-2-(methylamino)propanamide
PubChem CID58386335
Molecular FormulaC21H24F2N6O
Molecular Weight414.46 g/mol
Exact Mass414.20
IUPAC NameN-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methyl-2-(methylamino)propanamide
SMILESCNC(C)(C)C(=O)Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12
InChIInChI=1S/C21H24F2N6O/c1-21(2,24-3)20(30)26-16-12-25-29-10-8-18(27-19(16)29)28-9-4-5-17(28)14-11-13(22)6-7-15(14)23/h6-8,10-12,17,24H,4-5,9H2,1-3H3,(H,26,30)/t17-/m1/s1
InChIKeyYHBJBVSIEWTKMO-QGZVFWFLSA-N
XLogP3.29
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-methyl-2-(methylamino)propanamide?
The IUPAC name of N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methyl-2-(methylamino)propanamide (CID 58386335) is N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methyl-2-(methylamino)propanamide.
What is the SMILES notation for N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methyl-2-(methylamino)propanamide?
The canonical SMILES for N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methyl-2-(methylamino)propanamide is CNC(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-methyl-2-(methylamino)propanamide?
The InChIKey is YHBJBVSIEWTKMO-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H24F2N6O/c1-21(2,24-3)20(30)26-16-12-25-29-10-8-18(27-19(16)29)28-9-4-5-17(28)14-11-13(22)6-7-15(14)23/h6-8,10-12,17,24H,4-5,9H2,1-3H3,(H,26,30)/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-methyl-2-(methylamino)propanamide?
N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methyl-2-(methylamino)propanamide has a molecular weight of 414.46 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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-methyl-2-(methylamino)propanamide is sourced from PubChem (CID 58386335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).