2-chloropyrimidine;(6S)-6-methyl-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;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

C49H48ClF6N15O4 — CID 158758140

About 2-chloropyrimidine;(6S)-6-methyl-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;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

2-chloropyrimidine;(6S)-6-methyl-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;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 (PubChem CID 158758140) has the molecular formula C49H48ClF6N15O4 and a molecular weight of 1060.46 g/mol. Its IUPAC name is 2-chloropyrimidine;(6S)-6-methyl-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;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.

Molecular Properties

• Compound Name: 2-chloropyrimidine;(6S)-6-methyl-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;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
• PubChem CID: 158758140
• Molecular Formula: C49H48ClF6N15O4
• Molecular Weight: 1060.46 g/mol
• Exact Mass: 1059.36
• IUPAC Name: 2-chloropyrimidine;(6S)-6-methyl-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;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
• SMILES: C[C@H]1Cn2ncc(N3CC4(CC3=O)CN(c3ncccn3)C4)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.C[C@H]1Cn2ncc(N3CC4(CNC4)CC3=O)c2CN1C(=O)Cc1cc(F)c(F)c(F)c1.Clc1ncccn1
• InChI: InChI=1S/C24H23F3N8O2.C21H22F3N5O2.C4H3ClN2/c1-14-9-35-19(10-33(14)23(37)31-15-5-16(25)21(27)17(26)6-15)18(8-30-35)34-13-24(7-20(34)36)11-32(12-24)22-28-3-2-4-29-22;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/h2-6,8,14H,7,9-13H2,1H3,(H,31,37);2-3,6,12,25H,4-5,7-11H2,1H3;1-3H/t14-;12-;/m00./s1
• InChIKey: IOIGDADZHIQUSQ-JZGLDBNLSA-N
• XLogP: 5.50
• TPSA: 195.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1060.46
LogP ≤ 5	5.50
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;(6S)-6-methyl-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;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?

The IUPAC name of 2-chloropyrimidine;(6S)-6-methyl-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;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 (CID 158758140) is 2-chloropyrimidine;(6S)-6-methyl-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;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.

What is the SMILES notation for 2-chloropyrimidine;(6S)-6-methyl-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;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?

The canonical SMILES for 2-chloropyrimidine;(6S)-6-methyl-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;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 is C[C@H]1Cn2ncc(N3CC4(CC3=O)CN(c3ncccn3)C4)c2CN1C(=O)Nc1cc(F)c(F)c(F)c1.C[C@H]1Cn2ncc(N3CC4(CNC4)CC3=O)c2CN1C(=O)Cc1cc(F)c(F)c(F)c1.Clc1ncccn1.

What is the InChIKey of 2-chloropyrimidine;(6S)-6-methyl-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;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?

The InChIKey is IOIGDADZHIQUSQ-JZGLDBNLSA-N. The full InChI is InChI=1S/C24H23F3N8O2.C21H22F3N5O2.C4H3ClN2/c1-14-9-35-19(10-33(14)23(37)31-15-5-16(25)21(27)17(26)6-15)18(8-30-35)34-13-24(7-20(34)36)11-32(12-24)22-28-3-2-4-29-22;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/h2-6,8,14H,7,9-13H2,1H3,(H,31,37);2-3,6,12,25H,4-5,7-11H2,1H3;1-3H/t14-;12-;/m00./s1.

What are the key properties of 2-chloropyrimidine;(6S)-6-methyl-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;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?

2-chloropyrimidine;(6S)-6-methyl-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;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 has a molecular weight of 1060.46 g/mol, XLogP of 5.50, 6 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloropyrimidine;(6S)-6-methyl-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;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 is sourced from PubChem (CID 158758140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).