2-[3-(3-chlorophenyl)-4-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]pyrazol-1-yl]acetic acid;1,1,1-trifluoropropan-2-yl 1-(8-chloro-6-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2-chloro-4-pyrrolidin-1-ylpyrimidine-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2-chloro-6-pyrrolidin-1-ylpyrimidine-4-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate

C108H132Cl5F15N22O15 — CID 158179973

About 2-[3-(3-chlorophenyl)-4-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]pyrazol-1-yl]acetic acid;1,1,1-trifluoropropan-2-yl 1-(8-chloro-6-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2-chloro-4-pyrrolidin-1-ylpyrimidine-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2-chloro-6-pyrrolidin-1-ylpyrimidine-4-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate

2-[3-(3-chlorophenyl)-4-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]pyrazol-1-yl]acetic acid;1,1,1-trifluoropropan-2-yl 1-(8-chloro-6-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2-chloro-4-pyrrolidin-1-ylpyrimidine-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2-chloro-6-pyrrolidin-1-ylpyrimidine-4-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 158179973) has the molecular formula C108H132Cl5F15N22O15 and a molecular weight of 2440.62 g/mol. Its IUPAC name is 2-[3-(3-chlorophenyl)-4-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]pyrazol-1-yl]acetic acid;1,1,1-trifluoropropan-2-yl 1-(8-chloro-6-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2-chloro-4-pyrrolidin-1-ylpyrimidine-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2-chloro-6-pyrrolidin-1-ylpyrimidine-4-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

• Compound Name: 2-[3-(3-chlorophenyl)-4-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]pyrazol-1-yl]acetic acid;1,1,1-trifluoropropan-2-yl 1-(8-chloro-6-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2-chloro-4-pyrrolidin-1-ylpyrimidine-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2-chloro-6-pyrrolidin-1-ylpyrimidine-4-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate
• PubChem CID: 158179973
• Molecular Formula: C108H132Cl5F15N22O15
• Molecular Weight: 2440.62 g/mol
• Exact Mass: 2436.84
• IUPAC Name: 2-[3-(3-chlorophenyl)-4-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]pyrazol-1-yl]acetic acid;1,1,1-trifluoropropan-2-yl 1-(8-chloro-6-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2-chloro-4-pyrrolidin-1-ylpyrimidine-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2-chloro-6-pyrrolidin-1-ylpyrimidine-4-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate
• SMILES: CC(OC(=O)N1CCC2(CCCN2C(=O)c2cc(N3CCCC3)nc(Cl)n2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2cnc(Cl)nc2N2CCCC2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2Cc2cn(CC(=O)O)nc2-c2cccc(Cl)c2)CC1)C(F)(F)F.Cc1cc(Cl)c2nc(C(=O)N3CCCC34CCN(C(=O)OC(C)C(F)(F)F)CC4)cn2c1.Cc1cc(Cl)c2nc(CN3CCCC34CCN(C(=O)OC(C)C(F)(F)F)CC4)cn2c1
• InChI: InChI=1S/C24H28ClF3N4O4.2C21H27ClF3N5O3.C21H24ClF3N4O3.C21H26ClF3N4O2/c1-16(24(26,27)28)36-22(35)30-10-7-23(8-11-30)6-3-9-31(23)13-18-14-32(15-20(33)34)29-21(18)17-4-2-5-19(25)12-17;1-14(21(23,24)25)33-19(32)29-11-6-20(7-12-29)5-4-10-30(20)17(31)15-13-26-18(22)27-16(15)28-8-2-3-9-28;1-14(21(23,24)25)33-19(32)29-11-6-20(7-12-29)5-4-10-30(20)17(31)15-13-16(27-18(22)26-15)28-8-2-3-9-28;1-13-10-15(22)17-26-16(12-28(17)11-13)18(30)29-7-3-4-20(29)5-8-27(9-6-20)19(31)32-14(2)21(23,24)25;1-14-10-17(22)18-26-16(12-28(18)11-14)13-29-7-3-4-20(29)5-8-27(9-6-20)19(30)31-15(2)21(23,24)25/h2,4-5,12,14,16H,3,6-11,13,15H2,1H3,(H,33,34);2*13-14H,2-12H2,1H3;10-12,14H,3-9H2,1-2H3;10-12,15H,3-9,13H2,1-2H3
• InChIKey: FYLUZNKXFPOATG-UHFFFAOYSA-N
• XLogP: 21.85
• TPSA: 362.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 17
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2440.62
LogP ≤ 5	21.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenyl)-4-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]pyrazol-1-yl]acetic acid;1,1,1-trifluoropropan-2-yl 1-(8-chloro-6-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2-chloro-4-pyrrolidin-1-ylpyrimidine-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2-chloro-6-pyrrolidin-1-ylpyrimidine-4-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate?

The IUPAC name of 2-[3-(3-chlorophenyl)-4-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]pyrazol-1-yl]acetic acid;1,1,1-trifluoropropan-2-yl 1-(8-chloro-6-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2-chloro-4-pyrrolidin-1-ylpyrimidine-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2-chloro-6-pyrrolidin-1-ylpyrimidine-4-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate (CID 158179973) is 2-[3-(3-chlorophenyl)-4-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]pyrazol-1-yl]acetic acid;1,1,1-trifluoropropan-2-yl 1-(8-chloro-6-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2-chloro-4-pyrrolidin-1-ylpyrimidine-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2-chloro-6-pyrrolidin-1-ylpyrimidine-4-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate.

What is the SMILES notation for 2-[3-(3-chlorophenyl)-4-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]pyrazol-1-yl]acetic acid;1,1,1-trifluoropropan-2-yl 1-(8-chloro-6-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2-chloro-4-pyrrolidin-1-ylpyrimidine-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2-chloro-6-pyrrolidin-1-ylpyrimidine-4-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate?

The canonical SMILES for 2-[3-(3-chlorophenyl)-4-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]pyrazol-1-yl]acetic acid;1,1,1-trifluoropropan-2-yl 1-(8-chloro-6-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2-chloro-4-pyrrolidin-1-ylpyrimidine-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2-chloro-6-pyrrolidin-1-ylpyrimidine-4-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate is CC(OC(=O)N1CCC2(CCCN2C(=O)c2cc(N3CCCC3)nc(Cl)n2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2cnc(Cl)nc2N2CCCC2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2Cc2cn(CC(=O)O)nc2-c2cccc(Cl)c2)CC1)C(F)(F)F.Cc1cc(Cl)c2nc(C(=O)N3CCCC34CCN(C(=O)OC(C)C(F)(F)F)CC4)cn2c1.Cc1cc(Cl)c2nc(CN3CCCC34CCN(C(=O)OC(C)C(F)(F)F)CC4)cn2c1.

What is the InChIKey of 2-[3-(3-chlorophenyl)-4-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]pyrazol-1-yl]acetic acid;1,1,1-trifluoropropan-2-yl 1-(8-chloro-6-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2-chloro-4-pyrrolidin-1-ylpyrimidine-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2-chloro-6-pyrrolidin-1-ylpyrimidine-4-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate?

The InChIKey is FYLUZNKXFPOATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClF3N4O4.2C21H27ClF3N5O3.C21H24ClF3N4O3.C21H26ClF3N4O2/c1-16(24(26,27)28)36-22(35)30-10-7-23(8-11-30)6-3-9-31(23)13-18-14-32(15-20(33)34)29-21(18)17-4-2-5-19(25)12-17;1-14(21(23,24)25)33-19(32)29-11-6-20(7-12-29)5-4-10-30(20)17(31)15-13-26-18(22)27-16(15)28-8-2-3-9-28;1-14(21(23,24)25)33-19(32)29-11-6-20(7-12-29)5-4-10-30(20)17(31)15-13-16(27-18(22)26-15)28-8-2-3-9-28;1-13-10-15(22)17-26-16(12-28(17)11-13)18(30)29-7-3-4-20(29)5-8-27(9-6-20)19(31)32-14(2)21(23,24)25;1-14-10-17(22)18-26-16(12-28(18)11-14)13-29-7-3-4-20(29)5-8-27(9-6-20)19(30)31-15(2)21(23,24)25/h2,4-5,12,14,16H,3,6-11,13,15H2,1H3,(H,33,34);2*13-14H,2-12H2,1H3;10-12,14H,3-9H2,1-2H3;10-12,15H,3-9,13H2,1-2H3.

What are the key properties of 2-[3-(3-chlorophenyl)-4-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]pyrazol-1-yl]acetic acid;1,1,1-trifluoropropan-2-yl 1-(8-chloro-6-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2-chloro-4-pyrrolidin-1-ylpyrimidine-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2-chloro-6-pyrrolidin-1-ylpyrimidine-4-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate?

2-[3-(3-chlorophenyl)-4-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]pyrazol-1-yl]acetic acid;1,1,1-trifluoropropan-2-yl 1-(8-chloro-6-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2-chloro-4-pyrrolidin-1-ylpyrimidine-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2-chloro-6-pyrrolidin-1-ylpyrimidine-4-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 2440.62 g/mol, XLogP of 21.85, 17 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(3-chlorophenyl)-4-[[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decan-1-yl]methyl]pyrazol-1-yl]acetic acid;1,1,1-trifluoropropan-2-yl 1-(8-chloro-6-methylimidazo[1,2-a]pyridine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(8-chloro-6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2-chloro-4-pyrrolidin-1-ylpyrimidine-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(2-chloro-6-pyrrolidin-1-ylpyrimidine-4-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 158179973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).