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

C19H18F2N6O2 — CID 58386327

IUPACN'-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N-methyloxamide
SMILESCNC(=O)C(=O)Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12
InChIInChI=1S/C19H18F2N6O2/c1-22-18(28)19(29)24-14-10-23-27-8-6-16(25-17(14)27)26-7-2-3-15(26)12-9-11(20)4-5-13(12)21/h4-6,8-10,15H,2-3,7H2,1H3,(H,22,28)(H,24,29)/t15-/m1/s1
InChIKeyNATYJNDZWKBODH-OAHLLOKOSA-N
MW400.39 g/mol
LogP2.03
Rot. Bonds3

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

N'-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N-methyloxamide (PubChem CID 58386327) has the molecular formula C19H18F2N6O2 and a molecular weight of 400.39 g/mol. Its IUPAC name is N'-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N-methyloxamide.

Molecular Properties

Compound NameN'-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N-methyloxamide
PubChem CID58386327
Molecular FormulaC19H18F2N6O2
Molecular Weight400.39 g/mol
Exact Mass400.15
IUPAC NameN'-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N-methyloxamide
SMILESCNC(=O)C(=O)Nc1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3F)nc12
InChIInChI=1S/C19H18F2N6O2/c1-22-18(28)19(29)24-14-10-23-27-8-6-16(25-17(14)27)26-7-2-3-15(26)12-9-11(20)4-5-13(12)21/h4-6,8-10,15H,2-3,7H2,1H3,(H,22,28)(H,24,29)/t15-/m1/s1
InChIKeyNATYJNDZWKBODH-OAHLLOKOSA-N
XLogP2.03
TPSA91.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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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]-N-methyloxamide?
The IUPAC name of N'-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N-methyloxamide (CID 58386327) is N'-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N-methyloxamide.
What is the SMILES notation for N'-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N-methyloxamide?
The canonical SMILES for N'-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N-methyloxamide is CNC(=O)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]-N-methyloxamide?
The InChIKey is NATYJNDZWKBODH-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H18F2N6O2/c1-22-18(28)19(29)24-14-10-23-27-8-6-16(25-17(14)27)26-7-2-3-15(26)12-9-11(20)4-5-13(12)21/h4-6,8-10,15H,2-3,7H2,1H3,(H,22,28)(H,24,29)/t15-/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]-N-methyloxamide?
N'-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-N-methyloxamide has a molecular weight of 400.39 g/mol, XLogP of 2.03, 3 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]-N-methyloxamide is sourced from PubChem (CID 58386327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).