5-[2-[5-fluoro-2-(morpholine-4-carbonyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H23FN6O3 — CID 56944184

IUPAC5-[2-[5-fluoro-2-(morpholine-4-carbonyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2ccc(N3CCCC3c3cc(F)ccc3C(=O)N3CCOCC3)nc12
InChIInChI=1S/C22H23FN6O3/c23-14-3-4-15(22(31)27-8-10-32-11-9-27)16(12-14)18-2-1-6-28(18)19-5-7-29-21(26-19)17(13-25-29)20(24)30/h3-5,7,12-13,18H,1-2,6,8-11H2,(H2,24,30)
InChIKeyHRIPECWAIREJGA-UHFFFAOYSA-N
MW438.46 g/mol
LogP1.78
Rot. Bonds4

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

5-[2-[5-fluoro-2-(morpholine-4-carbonyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 56944184) has the molecular formula C22H23FN6O3 and a molecular weight of 438.46 g/mol. Its IUPAC name is 5-[2-[5-fluoro-2-(morpholine-4-carbonyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[2-[5-fluoro-2-(morpholine-4-carbonyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID56944184
Molecular FormulaC22H23FN6O3
Molecular Weight438.46 g/mol
Exact Mass438.18
IUPAC Name5-[2-[5-fluoro-2-(morpholine-4-carbonyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2ccc(N3CCCC3c3cc(F)ccc3C(=O)N3CCOCC3)nc12
InChIInChI=1S/C22H23FN6O3/c23-14-3-4-15(22(31)27-8-10-32-11-9-27)16(12-14)18-2-1-6-28(18)19-5-7-29-21(26-19)17(13-25-29)20(24)30/h3-5,7,12-13,18H,1-2,6,8-11H2,(H2,24,30)
InChIKeyHRIPECWAIREJGA-UHFFFAOYSA-N
XLogP1.78
TPSA106.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[5-fluoro-2-(morpholine-4-carbonyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[2-[5-fluoro-2-(morpholine-4-carbonyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 56944184) is 5-[2-[5-fluoro-2-(morpholine-4-carbonyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[2-[5-fluoro-2-(morpholine-4-carbonyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[2-[5-fluoro-2-(morpholine-4-carbonyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1cnn2ccc(N3CCCC3c3cc(F)ccc3C(=O)N3CCOCC3)nc12.
What is the InChIKey of 5-[2-[5-fluoro-2-(morpholine-4-carbonyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HRIPECWAIREJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O3/c23-14-3-4-15(22(31)27-8-10-32-11-9-27)16(12-14)18-2-1-6-28(18)19-5-7-29-21(26-19)17(13-25-29)20(24)30/h3-5,7,12-13,18H,1-2,6,8-11H2,(H2,24,30).
What are the key properties of 5-[2-[5-fluoro-2-(morpholine-4-carbonyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[2-[5-fluoro-2-(morpholine-4-carbonyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 438.46 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[5-fluoro-2-(morpholine-4-carbonyl)phenyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 56944184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).