5-[3-(2,5-difluorophenyl)morpholin-4-yl]-N-[4-[1-(2-hydroxyacetyl)piperidin-4-yl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C30H30F2N6O4 — CID 168848963

About 5-[3-(2,5-difluorophenyl)morpholin-4-yl]-N-[4-[1-(2-hydroxyacetyl)piperidin-4-yl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[3-(2,5-difluorophenyl)morpholin-4-yl]-N-[4-[1-(2-hydroxyacetyl)piperidin-4-yl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 168848963) has the molecular formula C30H30F2N6O4 and a molecular weight of 576.60 g/mol. Its IUPAC name is 5-[3-(2,5-difluorophenyl)morpholin-4-yl]-N-[4-[1-(2-hydroxyacetyl)piperidin-4-yl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[3-(2,5-difluorophenyl)morpholin-4-yl]-N-[4-[1-(2-hydroxyacetyl)piperidin-4-yl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• PubChem CID: 168848963
• Molecular Formula: C30H30F2N6O4
• Molecular Weight: 576.60 g/mol
• Exact Mass: 576.23
• IUPAC Name: 5-[3-(2,5-difluorophenyl)morpholin-4-yl]-N-[4-[1-(2-hydroxyacetyl)piperidin-4-yl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
• SMILES: O=C(Nc1ccc(C2CCN(C(=O)CO)CC2)cc1)c1cnn2ccc(N3CCOCC3c3cc(F)ccc3F)nc12
• InChI: InChI=1S/C30H30F2N6O4/c31-21-3-6-25(32)23(15-21)26-18-42-14-13-37(26)27-9-12-38-29(35-27)24(16-33-38)30(41)34-22-4-1-19(2-5-22)20-7-10-36(11-8-20)28(40)17-39/h1-6,9,12,15-16,20,26,39H,7-8,10-11,13-14,17-18H2,(H,34,41)
• InChIKey: YPNGJCZIRZRSMJ-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 112.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.60
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,5-difluorophenyl)morpholin-4-yl]-N-[4-[1-(2-hydroxyacetyl)piperidin-4-yl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The IUPAC name of 5-[3-(2,5-difluorophenyl)morpholin-4-yl]-N-[4-[1-(2-hydroxyacetyl)piperidin-4-yl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 168848963) is 5-[3-(2,5-difluorophenyl)morpholin-4-yl]-N-[4-[1-(2-hydroxyacetyl)piperidin-4-yl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

What is the SMILES notation for 5-[3-(2,5-difluorophenyl)morpholin-4-yl]-N-[4-[1-(2-hydroxyacetyl)piperidin-4-yl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The canonical SMILES for 5-[3-(2,5-difluorophenyl)morpholin-4-yl]-N-[4-[1-(2-hydroxyacetyl)piperidin-4-yl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1ccc(C2CCN(C(=O)CO)CC2)cc1)c1cnn2ccc(N3CCOCC3c3cc(F)ccc3F)nc12.

What is the InChIKey of 5-[3-(2,5-difluorophenyl)morpholin-4-yl]-N-[4-[1-(2-hydroxyacetyl)piperidin-4-yl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

The InChIKey is YPNGJCZIRZRSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F2N6O4/c31-21-3-6-25(32)23(15-21)26-18-42-14-13-37(26)27-9-12-38-29(35-27)24(16-33-38)30(41)34-22-4-1-19(2-5-22)20-7-10-36(11-8-20)28(40)17-39/h1-6,9,12,15-16,20,26,39H,7-8,10-11,13-14,17-18H2,(H,34,41).

What are the key properties of 5-[3-(2,5-difluorophenyl)morpholin-4-yl]-N-[4-[1-(2-hydroxyacetyl)piperidin-4-yl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?

5-[3-(2,5-difluorophenyl)morpholin-4-yl]-N-[4-[1-(2-hydroxyacetyl)piperidin-4-yl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 576.60 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(2,5-difluorophenyl)morpholin-4-yl]-N-[4-[1-(2-hydroxyacetyl)piperidin-4-yl]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 168848963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).