5-[(2R)-2-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H27FN6O3 — CID 67500168

IUPAC5-[(2R)-2-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cc(OCCN4CCOCC4)c3)nc12
InChIInChI=1S/C23H27FN6O3/c24-17-12-16(13-18(14-17)33-11-8-28-6-9-32-10-7-28)20-2-1-4-29(20)21-3-5-30-23(27-21)19(15-26-30)22(25)31/h3,5,12-15,20H,1-2,4,6-11H2,(H2,25,31)/t20-/m1/s1
InChIKeyLTPGETLXOCVLEF-HXUWFJFHSA-N
MW454.51 g/mol
LogP2.02
Rot. Bonds7

About 5-[(2R)-2-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(2R)-2-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 67500168) has the molecular formula C23H27FN6O3 and a molecular weight of 454.51 g/mol. Its IUPAC name is 5-[(2R)-2-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(2R)-2-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID67500168
Molecular FormulaC23H27FN6O3
Molecular Weight454.51 g/mol
Exact Mass454.21
IUPAC Name5-[(2R)-2-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cc(OCCN4CCOCC4)c3)nc12
InChIInChI=1S/C23H27FN6O3/c24-17-12-16(13-18(14-17)33-11-8-28-6-9-32-10-7-28)20-2-1-4-29(20)21-3-5-30-23(27-21)19(15-26-30)22(25)31/h3,5,12-15,20H,1-2,4,6-11H2,(H2,25,31)/t20-/m1/s1
InChIKeyLTPGETLXOCVLEF-HXUWFJFHSA-N
XLogP2.02
TPSA98.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(2R)-2-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 67500168) is 5-[(2R)-2-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(2R)-2-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(2R)-2-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cc(OCCN4CCOCC4)c3)nc12.
What is the InChIKey of 5-[(2R)-2-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is LTPGETLXOCVLEF-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H27FN6O3/c24-17-12-16(13-18(14-17)33-11-8-28-6-9-32-10-7-28)20-2-1-4-29(20)21-3-5-30-23(27-21)19(15-26-30)22(25)31/h3,5,12-15,20H,1-2,4,6-11H2,(H2,25,31)/t20-/m1/s1.
What are the key properties of 5-[(2R)-2-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(2R)-2-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 454.51 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-[3-fluoro-5-(2-morpholin-4-ylethoxy)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 67500168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).