2-[[8-(3-acetylpyrazole-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-4-chlorobenzamide;1-[1-[(2R)-4-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone

C117H135Cl2N25O11S — CID 160662994

About 2-[[8-(3-acetylpyrazole-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-4-chlorobenzamide;1-[1-[(2R)-4-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone

2-[[8-(3-acetylpyrazole-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-4-chlorobenzamide;1-[1-[(2R)-4-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone (PubChem CID 160662994) has the molecular formula C117H135Cl2N25O11S and a molecular weight of 2170.50 g/mol. Its IUPAC name is 2-[[8-(3-acetylpyrazole-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-4-chlorobenzamide;1-[1-[(2R)-4-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone.

Molecular Properties

• Compound Name: 2-[[8-(3-acetylpyrazole-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-4-chlorobenzamide;1-[1-[(2R)-4-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone
• PubChem CID: 160662994
• Molecular Formula: C117H135Cl2N25O11S
• Molecular Weight: 2170.50 g/mol
• Exact Mass: 2167.99
• IUPAC Name: 2-[[8-(3-acetylpyrazole-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-4-chlorobenzamide;1-[1-[(2R)-4-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone
• SMILES: CC(=O)c1ccn(C(=O)N2CCC3(CCCN3Cc3cc(C)cc(C)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(Cl)ccc4C(N)=O)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(-c5ccccn5)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(-c5cncnc5)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(Cl)c(-c4nccs4)c3)C[C@H]2C)n1
• InChI: InChI=1S/C26H29N5O2.C25H28N6O2.C23H30N4O2.C22H26ClN5O3.C21H22ClN5O2S/c1-20(32)23-8-13-31(28-23)25(33)30-15-10-26(11-16-30)9-14-29(19-26)18-21-5-4-6-22(17-21)24-7-2-3-12-27-24;1-19(32)23-5-9-31(28-23)24(33)30-11-7-25(8-12-30)6-10-29(17-25)16-20-3-2-4-21(13-20)22-14-26-18-27-15-22;1-17-13-18(2)15-20(14-17)16-26-9-4-6-23(26)7-11-25(12-8-23)22(29)27-10-5-21(24-27)19(3)28;1-15(29)19-4-8-28(25-19)21(31)27-10-6-22(7-11-27)5-9-26(14-22)13-16-12-17(23)2-3-18(16)20(24)30;1-14-12-25(8-9-26(14)21(29)27-7-5-19(24-27)15(2)28)13-16-3-4-18(22)17(11-16)20-23-6-10-30-20/h2-8,12-13,17H,9-11,14-16,18-19H2,1H3;2-5,9,13-15,18H,6-8,10-12,16-17H2,1H3;5,10,13-15H,4,6-9,11-12,16H2,1-3H3;2-4,8,12H,5-7,9-11,13-14H2,1H3,(H2,24,30);3-7,10-11,14H,8-9,12-13H2,1-2H3/t;;;;14-/m....1/s1
• InChIKey: RLXNVIRQBYJAFR-LIDGXMTQSA-N
• XLogP: 18.24
• TPSA: 386.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 31
• Rotatable Bonds: 19
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2170.50
LogP ≤ 5	18.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	31

Frequently Asked Questions

What is the IUPAC name of 2-[[8-(3-acetylpyrazole-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-4-chlorobenzamide;1-[1-[(2R)-4-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone?

The IUPAC name of 2-[[8-(3-acetylpyrazole-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-4-chlorobenzamide;1-[1-[(2R)-4-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone (CID 160662994) is 2-[[8-(3-acetylpyrazole-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-4-chlorobenzamide;1-[1-[(2R)-4-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone.

What is the SMILES notation for 2-[[8-(3-acetylpyrazole-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-4-chlorobenzamide;1-[1-[(2R)-4-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone?

The canonical SMILES for 2-[[8-(3-acetylpyrazole-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-4-chlorobenzamide;1-[1-[(2R)-4-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone is CC(=O)c1ccn(C(=O)N2CCC3(CCCN3Cc3cc(C)cc(C)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cc(Cl)ccc4C(N)=O)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(-c5ccccn5)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(-c5cncnc5)c4)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(Cl)c(-c4nccs4)c3)C[C@H]2C)n1.

What is the InChIKey of 2-[[8-(3-acetylpyrazole-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-4-chlorobenzamide;1-[1-[(2R)-4-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone?

The InChIKey is RLXNVIRQBYJAFR-LIDGXMTQSA-N. The full InChI is InChI=1S/C26H29N5O2.C25H28N6O2.C23H30N4O2.C22H26ClN5O3.C21H22ClN5O2S/c1-20(32)23-8-13-31(28-23)25(33)30-15-10-26(11-16-30)9-14-29(19-26)18-21-5-4-6-22(17-21)24-7-2-3-12-27-24;1-19(32)23-5-9-31(28-23)24(33)30-11-7-25(8-12-30)6-10-29(17-25)16-20-3-2-4-21(13-20)22-14-26-18-27-15-22;1-17-13-18(2)15-20(14-17)16-26-9-4-6-23(26)7-11-25(12-8-23)22(29)27-10-5-21(24-27)19(3)28;1-15(29)19-4-8-28(25-19)21(31)27-10-6-22(7-11-27)5-9-26(14-22)13-16-12-17(23)2-3-18(16)20(24)30;1-14-12-25(8-9-26(14)21(29)27-7-5-19(24-27)15(2)28)13-16-3-4-18(22)17(11-16)20-23-6-10-30-20/h2-8,12-13,17H,9-11,14-16,18-19H2,1H3;2-5,9,13-15,18H,6-8,10-12,16-17H2,1H3;5,10,13-15H,4,6-9,11-12,16H2,1-3H3;2-4,8,12H,5-7,9-11,13-14H2,1H3,(H2,24,30);3-7,10-11,14H,8-9,12-13H2,1-2H3/t;;;;14-/m....1/s1.

What are the key properties of 2-[[8-(3-acetylpyrazole-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-4-chlorobenzamide;1-[1-[(2R)-4-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone?

2-[[8-(3-acetylpyrazole-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-4-chlorobenzamide;1-[1-[(2R)-4-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone has a molecular weight of 2170.50 g/mol, XLogP of 18.24, 19 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[8-(3-acetylpyrazole-1-carbonyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-4-chlorobenzamide;1-[1-[(2R)-4-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3,5-dimethylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone is sourced from PubChem (CID 160662994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).