N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]morpholine-4-carboxamide

C21H23FN6O2 — CID 58386309

IUPACN-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]morpholine-4-carboxamide
SMILESO=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cccc(F)c3)nc12)N1CCOCC1
InChIInChI=1S/C21H23FN6O2/c22-16-4-1-3-15(13-16)18-5-2-7-27(18)19-6-8-28-20(25-19)17(14-23-28)24-21(29)26-9-11-30-12-10-26/h1,3-4,6,8,13-14,18H,2,5,7,9-12H2,(H,24,29)/t18-/m1/s1
InChIKeyQOKWDGASKXDVFO-GOSISDBHSA-N
MW410.45 g/mol
LogP3.07
Rot. Bonds3

About N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]morpholine-4-carboxamide

N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]morpholine-4-carboxamide (PubChem CID 58386309) has the molecular formula C21H23FN6O2 and a molecular weight of 410.45 g/mol. Its IUPAC name is N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]morpholine-4-carboxamide
PubChem CID58386309
Molecular FormulaC21H23FN6O2
Molecular Weight410.45 g/mol
Exact Mass410.19
IUPAC NameN-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]morpholine-4-carboxamide
SMILESO=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cccc(F)c3)nc12)N1CCOCC1
InChIInChI=1S/C21H23FN6O2/c22-16-4-1-3-15(13-16)18-5-2-7-27(18)19-6-8-28-20(25-19)17(14-23-28)24-21(29)26-9-11-30-12-10-26/h1,3-4,6,8,13-14,18H,2,5,7,9-12H2,(H,24,29)/t18-/m1/s1
InChIKeyQOKWDGASKXDVFO-GOSISDBHSA-N
XLogP3.07
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]morpholine-4-carboxamide?
The IUPAC name of N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]morpholine-4-carboxamide (CID 58386309) is N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]morpholine-4-carboxamide is O=C(Nc1cnn2ccc(N3CCC[C@@H]3c3cccc(F)c3)nc12)N1CCOCC1.
What is the InChIKey of N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]morpholine-4-carboxamide?
The InChIKey is QOKWDGASKXDVFO-GOSISDBHSA-N. The full InChI is InChI=1S/C21H23FN6O2/c22-16-4-1-3-15(13-16)18-5-2-7-27(18)19-6-8-28-20(25-19)17(14-23-28)24-21(29)26-9-11-30-12-10-26/h1,3-4,6,8,13-14,18H,2,5,7,9-12H2,(H,24,29)/t18-/m1/s1.
What are the key properties of N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]morpholine-4-carboxamide?
N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]morpholine-4-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]morpholine-4-carboxamide is sourced from PubChem (CID 58386309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).