N-cyclopropyl-4-[(1-fluorocyclopropyl)methyl]-5-hydroxy-3-[(E)-3-[(3R)-3-(methoxymethyl)morpholin-4-yl]-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide

C23H28FN5O6 — CID 156890695

About N-cyclopropyl-4-[(1-fluorocyclopropyl)methyl]-5-hydroxy-3-[(E)-3-[(3R)-3-(methoxymethyl)morpholin-4-yl]-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide

N-cyclopropyl-4-[(1-fluorocyclopropyl)methyl]-5-hydroxy-3-[(E)-3-[(3R)-3-(methoxymethyl)morpholin-4-yl]-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 156890695) has the molecular formula C23H28FN5O6 and a molecular weight of 489.50 g/mol. Its IUPAC name is N-cyclopropyl-4-[(1-fluorocyclopropyl)methyl]-5-hydroxy-3-[(E)-3-[(3R)-3-(methoxymethyl)morpholin-4-yl]-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-4-[(1-fluorocyclopropyl)methyl]-5-hydroxy-3-[(E)-3-[(3R)-3-(methoxymethyl)morpholin-4-yl]-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 156890695
• Molecular Formula: C23H28FN5O6
• Molecular Weight: 489.50 g/mol
• Exact Mass: 489.20
• IUPAC Name: N-cyclopropyl-4-[(1-fluorocyclopropyl)methyl]-5-hydroxy-3-[(E)-3-[(3R)-3-(methoxymethyl)morpholin-4-yl]-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: COC[C@@H]1COCCN1C(=O)/C=C/c1cnn2c(=O)c(C(=O)NC3CC3)c(O)n(CC3(F)CC3)c12
• InChI: InChI=1S/C23H28FN5O6/c1-34-11-16-12-35-9-8-27(16)17(30)5-2-14-10-25-29-20(14)28(13-23(24)6-7-23)21(32)18(22(29)33)19(31)26-15-3-4-15/h2,5,10,15-16,32H,3-4,6-9,11-13H2,1H3,(H,26,31)/b5-2+/t16-/m1/s1
• InChIKey: HPXZSBZKJKFSRE-OUGHUQCRSA-N
• XLogP: 0.48
• TPSA: 127.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.50
LogP ≤ 5	0.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(1-fluorocyclopropyl)methyl]-5-hydroxy-3-[(E)-3-[(3R)-3-(methoxymethyl)morpholin-4-yl]-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide?

The IUPAC name of N-cyclopropyl-4-[(1-fluorocyclopropyl)methyl]-5-hydroxy-3-[(E)-3-[(3R)-3-(methoxymethyl)morpholin-4-yl]-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 156890695) is N-cyclopropyl-4-[(1-fluorocyclopropyl)methyl]-5-hydroxy-3-[(E)-3-[(3R)-3-(methoxymethyl)morpholin-4-yl]-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide.

What is the SMILES notation for N-cyclopropyl-4-[(1-fluorocyclopropyl)methyl]-5-hydroxy-3-[(E)-3-[(3R)-3-(methoxymethyl)morpholin-4-yl]-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for N-cyclopropyl-4-[(1-fluorocyclopropyl)methyl]-5-hydroxy-3-[(E)-3-[(3R)-3-(methoxymethyl)morpholin-4-yl]-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide is COC[C@@H]1COCCN1C(=O)/C=C/c1cnn2c(=O)c(C(=O)NC3CC3)c(O)n(CC3(F)CC3)c12.

What is the InChIKey of N-cyclopropyl-4-[(1-fluorocyclopropyl)methyl]-5-hydroxy-3-[(E)-3-[(3R)-3-(methoxymethyl)morpholin-4-yl]-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide?

The InChIKey is HPXZSBZKJKFSRE-OUGHUQCRSA-N. The full InChI is InChI=1S/C23H28FN5O6/c1-34-11-16-12-35-9-8-27(16)17(30)5-2-14-10-25-29-20(14)28(13-23(24)6-7-23)21(32)18(22(29)33)19(31)26-15-3-4-15/h2,5,10,15-16,32H,3-4,6-9,11-13H2,1H3,(H,26,31)/b5-2+/t16-/m1/s1.

What are the key properties of N-cyclopropyl-4-[(1-fluorocyclopropyl)methyl]-5-hydroxy-3-[(E)-3-[(3R)-3-(methoxymethyl)morpholin-4-yl]-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide?

N-cyclopropyl-4-[(1-fluorocyclopropyl)methyl]-5-hydroxy-3-[(E)-3-[(3R)-3-(methoxymethyl)morpholin-4-yl]-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 489.50 g/mol, XLogP of 0.48, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-4-[(1-fluorocyclopropyl)methyl]-5-hydroxy-3-[(E)-3-[(3R)-3-(methoxymethyl)morpholin-4-yl]-3-oxoprop-1-enyl]-7-oxopyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 156890695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).