6-cyclopropyl-3-[4-(5-fluoropyrimidin-2-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C24H21F4N7O2 — CID 152579380

About 6-cyclopropyl-3-[4-(5-fluoropyrimidin-2-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

6-cyclopropyl-3-[4-(5-fluoropyrimidin-2-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 152579380) has the molecular formula C24H21F4N7O2 and a molecular weight of 515.47 g/mol. Its IUPAC name is 6-cyclopropyl-3-[4-(5-fluoropyrimidin-2-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

• Compound Name: 6-cyclopropyl-3-[4-(5-fluoropyrimidin-2-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• PubChem CID: 152579380
• Molecular Formula: C24H21F4N7O2
• Molecular Weight: 515.47 g/mol
• Exact Mass: 515.17
• IUPAC Name: 6-cyclopropyl-3-[4-(5-fluoropyrimidin-2-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• SMILES: O=C1CC(c2ncc(F)cn2)CN1c1cnn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)C(C1CC1)C2
• InChI: InChI=1S/C24H21F4N7O2/c25-14-6-29-23(30-7-14)13-3-21(36)33(9-13)18-8-31-35-11-19(12-1-2-12)34(10-20(18)35)24(37)32-15-4-16(26)22(28)17(27)5-15/h4-8,12-13,19H,1-3,9-11H2,(H,32,37)
• InChIKey: YTDQZGAMGJYVFN-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 96.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.47
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[4-(5-fluoropyrimidin-2-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The IUPAC name of 6-cyclopropyl-3-[4-(5-fluoropyrimidin-2-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 152579380) is 6-cyclopropyl-3-[4-(5-fluoropyrimidin-2-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

What is the SMILES notation for 6-cyclopropyl-3-[4-(5-fluoropyrimidin-2-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The canonical SMILES for 6-cyclopropyl-3-[4-(5-fluoropyrimidin-2-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is O=C1CC(c2ncc(F)cn2)CN1c1cnn2c1CN(C(=O)Nc1cc(F)c(F)c(F)c1)C(C1CC1)C2.

What is the InChIKey of 6-cyclopropyl-3-[4-(5-fluoropyrimidin-2-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The InChIKey is YTDQZGAMGJYVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F4N7O2/c25-14-6-29-23(30-7-14)13-3-21(36)33(9-13)18-8-31-35-11-19(12-1-2-12)34(10-20(18)35)24(37)32-15-4-16(26)22(28)17(27)5-15/h4-8,12-13,19H,1-3,9-11H2,(H,32,37).

What are the key properties of 6-cyclopropyl-3-[4-(5-fluoropyrimidin-2-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

6-cyclopropyl-3-[4-(5-fluoropyrimidin-2-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 515.47 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-3-[4-(5-fluoropyrimidin-2-yl)-2-oxopyrrolidin-1-yl]-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 152579380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).