N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[(3S)-3-(trifluoromethyl)morpholin-4-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

C22H26F3N5O5 — CID 156890469

About N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[(3S)-3-(trifluoromethyl)morpholin-4-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[(3S)-3-(trifluoromethyl)morpholin-4-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 156890469) has the molecular formula C22H26F3N5O5 and a molecular weight of 497.47 g/mol. Its IUPAC name is N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[(3S)-3-(trifluoromethyl)morpholin-4-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[(3S)-3-(trifluoromethyl)morpholin-4-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
• PubChem CID: 156890469
• Molecular Formula: C22H26F3N5O5
• Molecular Weight: 497.47 g/mol
• Exact Mass: 497.19
• IUPAC Name: N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[(3S)-3-(trifluoromethyl)morpholin-4-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
• SMILES: CC(C)Cn1c(O)c(C(=O)NC2CC2)c(=O)n2ncc(/C=C/C(=O)N3CCOC[C@H]3C(F)(F)F)c12
• InChI: InChI=1S/C22H26F3N5O5/c1-12(2)10-29-19-13(3-6-16(31)28-7-8-35-11-15(28)22(23,24)25)9-26-30(19)21(34)17(20(29)33)18(32)27-14-4-5-14/h3,6,9,12,14-15,33H,4-5,7-8,10-11H2,1-2H3,(H,27,32)/b6-3+/t15-/m0/s1
• InChIKey: USJOTMJEWNEUQO-VFQAQYNWSA-N
• XLogP: 1.55
• TPSA: 118.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.47
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[(3S)-3-(trifluoromethyl)morpholin-4-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?

The IUPAC name of N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[(3S)-3-(trifluoromethyl)morpholin-4-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide (CID 156890469) is N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[(3S)-3-(trifluoromethyl)morpholin-4-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide.

What is the SMILES notation for N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[(3S)-3-(trifluoromethyl)morpholin-4-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?

The canonical SMILES for N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[(3S)-3-(trifluoromethyl)morpholin-4-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide is CC(C)Cn1c(O)c(C(=O)NC2CC2)c(=O)n2ncc(/C=C/C(=O)N3CCOC[C@H]3C(F)(F)F)c12.

What is the InChIKey of N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[(3S)-3-(trifluoromethyl)morpholin-4-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?

The InChIKey is USJOTMJEWNEUQO-VFQAQYNWSA-N. The full InChI is InChI=1S/C22H26F3N5O5/c1-12(2)10-29-19-13(3-6-16(31)28-7-8-35-11-15(28)22(23,24)25)9-26-30(19)21(34)17(20(29)33)18(32)27-14-4-5-14/h3,6,9,12,14-15,33H,4-5,7-8,10-11H2,1-2H3,(H,27,32)/b6-3+/t15-/m0/s1.

What are the key properties of N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[(3S)-3-(trifluoromethyl)morpholin-4-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide?

N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[(3S)-3-(trifluoromethyl)morpholin-4-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 497.47 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-5-hydroxy-4-(2-methylpropyl)-7-oxo-3-[(E)-3-oxo-3-[(3S)-3-(trifluoromethyl)morpholin-4-yl]prop-1-enyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 156890469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).