2-[4-chloro-3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]pyrazol-1-yl]acetic acid;methane;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-ethylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrazin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate

C117H162ClF18N25O19 — CID 159424515

About 2-[4-chloro-3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]pyrazol-1-yl]acetic acid;methane;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-ethylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrazin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate

2-[4-chloro-3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]pyrazol-1-yl]acetic acid;methane;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-ethylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrazin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 159424515) has the molecular formula C117H162ClF18N25O19 and a molecular weight of 2600.16 g/mol. Its IUPAC name is 2-[4-chloro-3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]pyrazol-1-yl]acetic acid;methane;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-ethylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrazin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

• Compound Name: 2-[4-chloro-3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]pyrazol-1-yl]acetic acid;methane;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-ethylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrazin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate
• PubChem CID: 159424515
• Molecular Formula: C117H162ClF18N25O19
• Molecular Weight: 2600.16 g/mol
• Exact Mass: 2598.19
• IUPAC Name: 2-[4-chloro-3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]pyrazol-1-yl]acetic acid;methane;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-ethylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrazin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate
• SMILES: C.CC(OC(=O)N1CCC(C)(CC(=O)c2cn3c(n2)CN(C2CC2)CC3)CC1)C(F)(F)F.CC(OC(=O)N1CCC(C)(N(C)C(=O)C2(c3cnccn3)CC2)CC1)C(F)(F)F.CC(OC(=O)N1CCC(C)(N(C)C(=O)C2(c3ncccn3)CC2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2nn(CC(=O)O)cc2Cl)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2Cc2cnn(C)c2)CC1)C(F)(F)F.CCN(C(=O)c1cn2c(n1)CN(C1CC1)CC2)C1(C)CCN(C(=O)OC(C)C(F)(F)F)CC1
• InChI: InChI=1S/C22H32F3N5O3.C21H29F3N4O3.2C19H25F3N4O3.C18H22ClF3N4O5.C17H25F3N4O2.CH4/c1-4-30(19(31)17-13-29-12-11-28(16-5-6-16)14-18(29)26-17)21(3)7-9-27(10-8-21)20(32)33-15(2)22(23,24)25;1-14(21(22,23)24)31-19(30)26-7-5-20(2,6-8-26)11-17(29)16-12-28-10-9-27(15-3-4-15)13-18(28)25-16;1-13(19(20,21)22)29-16(28)26-11-7-17(2,8-12-26)25(3)15(27)18(5-6-18)14-23-9-4-10-24-14;1-13(19(20,21)22)29-16(28)26-10-6-17(2,7-11-26)25(3)15(27)18(4-5-18)14-12-23-8-9-24-14;1-11(18(20,21)22)31-16(30)24-7-4-17(5-8-24)3-2-6-26(17)15(29)14-12(19)9-25(23-14)10-13(27)28;1-13(17(18,19)20)26-15(25)23-8-5-16(6-9-23)4-3-7-24(16)12-14-10-21-22(2)11-14;/h13,15-16H,4-12,14H2,1-3H3;12,14-15H,3-11,13H2,1-2H3;4,9-10,13H,5-8,11-12H2,1-3H3;8-9,12-13H,4-7,10-11H2,1-3H3;9,11H,2-8,10H2,1H3,(H,27,28);10-11,13H,3-9,12H2,1-2H3;1H4
• InChIKey: LQEJMRNOSWYVOH-UHFFFAOYSA-N
• XLogP: 19.06
• TPSA: 445.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 33
• Rotatable Bonds: 25
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2600.16
LogP ≤ 5	19.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]pyrazol-1-yl]acetic acid;methane;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-ethylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrazin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate?

The IUPAC name of 2-[4-chloro-3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]pyrazol-1-yl]acetic acid;methane;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-ethylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrazin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate (CID 159424515) is 2-[4-chloro-3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]pyrazol-1-yl]acetic acid;methane;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-ethylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrazin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate.

What is the SMILES notation for 2-[4-chloro-3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]pyrazol-1-yl]acetic acid;methane;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-ethylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrazin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate?

The canonical SMILES for 2-[4-chloro-3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]pyrazol-1-yl]acetic acid;methane;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-ethylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrazin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate is C.CC(OC(=O)N1CCC(C)(CC(=O)c2cn3c(n2)CN(C2CC2)CC3)CC1)C(F)(F)F.CC(OC(=O)N1CCC(C)(N(C)C(=O)C2(c3cnccn3)CC2)CC1)C(F)(F)F.CC(OC(=O)N1CCC(C)(N(C)C(=O)C2(c3ncccn3)CC2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2nn(CC(=O)O)cc2Cl)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2Cc2cnn(C)c2)CC1)C(F)(F)F.CCN(C(=O)c1cn2c(n1)CN(C1CC1)CC2)C1(C)CCN(C(=O)OC(C)C(F)(F)F)CC1.

What is the InChIKey of 2-[4-chloro-3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]pyrazol-1-yl]acetic acid;methane;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-ethylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrazin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate?

The InChIKey is LQEJMRNOSWYVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32F3N5O3.C21H29F3N4O3.2C19H25F3N4O3.C18H22ClF3N4O5.C17H25F3N4O2.CH4/c1-4-30(19(31)17-13-29-12-11-28(16-5-6-16)14-18(29)26-17)21(3)7-9-27(10-8-21)20(32)33-15(2)22(23,24)25;1-14(21(22,23)24)31-19(30)26-7-5-20(2,6-8-26)11-17(29)16-12-28-10-9-27(15-3-4-15)13-18(28)25-16;1-13(19(20,21)22)29-16(28)26-11-7-17(2,8-12-26)25(3)15(27)18(5-6-18)14-23-9-4-10-24-14;1-13(19(20,21)22)29-16(28)26-10-6-17(2,7-11-26)25(3)15(27)18(4-5-18)14-12-23-8-9-24-14;1-11(18(20,21)22)31-16(30)24-7-4-17(5-8-24)3-2-6-26(17)15(29)14-12(19)9-25(23-14)10-13(27)28;1-13(17(18,19)20)26-15(25)23-8-5-16(6-9-23)4-3-7-24(16)12-14-10-21-22(2)11-14;/h13,15-16H,4-12,14H2,1-3H3;12,14-15H,3-11,13H2,1-2H3;4,9-10,13H,5-8,11-12H2,1-3H3;8-9,12-13H,4-7,10-11H2,1-3H3;9,11H,2-8,10H2,1H3,(H,27,28);10-11,13H,3-9,12H2,1-2H3;1H4.

What are the key properties of 2-[4-chloro-3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]pyrazol-1-yl]acetic acid;methane;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-ethylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrazin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate?

2-[4-chloro-3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]pyrazol-1-yl]acetic acid;methane;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-ethylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrazin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 2600.16 g/mol, XLogP of 19.06, 25 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-chloro-3-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]pyrazol-1-yl]acetic acid;methane;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-ethylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl)-2-oxoethyl]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrazin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-methyl-4-[methyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]piperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 159424515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).