2-chloropyrimidine;6-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2,6-diazaspiro[3.4]octan-7-one;3-(7-oxo-2-pyrimidin-2-yl-2,6-diazaspiro[3.4]octan-6-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

C48H46ClF6N15O4 — CID 161135768

About 2-chloropyrimidine;6-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2,6-diazaspiro[3.4]octan-7-one;3-(7-oxo-2-pyrimidin-2-yl-2,6-diazaspiro[3.4]octan-6-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide

2-chloropyrimidine;6-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2,6-diazaspiro[3.4]octan-7-one;3-(7-oxo-2-pyrimidin-2-yl-2,6-diazaspiro[3.4]octan-6-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (PubChem CID 161135768) has the molecular formula C48H46ClF6N15O4 and a molecular weight of 1046.44 g/mol. Its IUPAC name is 2-chloropyrimidine;6-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2,6-diazaspiro[3.4]octan-7-one;3-(7-oxo-2-pyrimidin-2-yl-2,6-diazaspiro[3.4]octan-6-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

• Compound Name: 2-chloropyrimidine;6-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2,6-diazaspiro[3.4]octan-7-one;3-(7-oxo-2-pyrimidin-2-yl-2,6-diazaspiro[3.4]octan-6-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• PubChem CID: 161135768
• Molecular Formula: C48H46ClF6N15O4
• Molecular Weight: 1046.44 g/mol
• Exact Mass: 1045.34
• IUPAC Name: 2-chloropyrimidine;6-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2,6-diazaspiro[3.4]octan-7-one;3-(7-oxo-2-pyrimidin-2-yl-2,6-diazaspiro[3.4]octan-6-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
• SMILES: C[C@H]1Cn2ncc(N3CC4(CNC4)CC3=O)c2CN1C(=O)Cc1cc(F)c(F)c(F)c1.Clc1ncccn1.O=C(Nc1cc(F)c(F)c(F)c1)N1CCn2ncc(N3CC4(CC3=O)CN(c3ncccn3)C4)c2C1
• InChI: InChI=1S/C23H21F3N8O2.C21H22F3N5O2.C4H3ClN2/c24-15-6-14(7-16(25)20(15)26)30-22(36)31-4-5-34-18(10-31)17(9-29-34)33-13-23(8-19(33)35)11-32(12-23)21-27-2-1-3-28-21;1-12-7-29-17(16(6-26-29)28-11-21(5-19(28)31)9-25-10-21)8-27(12)18(30)4-13-2-14(22)20(24)15(23)3-13;5-4-6-2-1-3-7-4/h1-3,6-7,9H,4-5,8,10-13H2,(H,30,36);2-3,6,12,25H,4-5,7-11H2,1H3;1-3H/t;12-;/m.0./s1
• InChIKey: UMTSFFFJYYDUJA-JJRNEHELSA-N
• XLogP: 5.11
• TPSA: 195.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1046.44
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloropyrimidine;6-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2,6-diazaspiro[3.4]octan-7-one;3-(7-oxo-2-pyrimidin-2-yl-2,6-diazaspiro[3.4]octan-6-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The IUPAC name of 2-chloropyrimidine;6-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2,6-diazaspiro[3.4]octan-7-one;3-(7-oxo-2-pyrimidin-2-yl-2,6-diazaspiro[3.4]octan-6-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide (CID 161135768) is 2-chloropyrimidine;6-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2,6-diazaspiro[3.4]octan-7-one;3-(7-oxo-2-pyrimidin-2-yl-2,6-diazaspiro[3.4]octan-6-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide.

What is the SMILES notation for 2-chloropyrimidine;6-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2,6-diazaspiro[3.4]octan-7-one;3-(7-oxo-2-pyrimidin-2-yl-2,6-diazaspiro[3.4]octan-6-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The canonical SMILES for 2-chloropyrimidine;6-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2,6-diazaspiro[3.4]octan-7-one;3-(7-oxo-2-pyrimidin-2-yl-2,6-diazaspiro[3.4]octan-6-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is C[C@H]1Cn2ncc(N3CC4(CNC4)CC3=O)c2CN1C(=O)Cc1cc(F)c(F)c(F)c1.Clc1ncccn1.O=C(Nc1cc(F)c(F)c(F)c1)N1CCn2ncc(N3CC4(CC3=O)CN(c3ncccn3)C4)c2C1.

What is the InChIKey of 2-chloropyrimidine;6-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2,6-diazaspiro[3.4]octan-7-one;3-(7-oxo-2-pyrimidin-2-yl-2,6-diazaspiro[3.4]octan-6-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

The InChIKey is UMTSFFFJYYDUJA-JJRNEHELSA-N. The full InChI is InChI=1S/C23H21F3N8O2.C21H22F3N5O2.C4H3ClN2/c24-15-6-14(7-16(25)20(15)26)30-22(36)31-4-5-34-18(10-31)17(9-29-34)33-13-23(8-19(33)35)11-32(12-23)21-27-2-1-3-28-21;1-12-7-29-17(16(6-26-29)28-11-21(5-19(28)31)9-25-10-21)8-27(12)18(30)4-13-2-14(22)20(24)15(23)3-13;5-4-6-2-1-3-7-4/h1-3,6-7,9H,4-5,8,10-13H2,(H,30,36);2-3,6,12,25H,4-5,7-11H2,1H3;1-3H/t;12-;/m.0./s1.

What are the key properties of 2-chloropyrimidine;6-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2,6-diazaspiro[3.4]octan-7-one;3-(7-oxo-2-pyrimidin-2-yl-2,6-diazaspiro[3.4]octan-6-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide?

2-chloropyrimidine;6-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2,6-diazaspiro[3.4]octan-7-one;3-(7-oxo-2-pyrimidin-2-yl-2,6-diazaspiro[3.4]octan-6-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 1046.44 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloropyrimidine;6-[(6S)-6-methyl-5-[2-(3,4,5-trifluorophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]-2,6-diazaspiro[3.4]octan-7-one;3-(7-oxo-2-pyrimidin-2-yl-2,6-diazaspiro[3.4]octan-6-yl)-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 161135768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).