1,1,1-trifluoropropan-2-yl 2-[[3-tert-butyl-1-(oxan-4-yl)pyrazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4-cyano-1,3-dimethylpyrazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-methoxyethyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]-4-methylpiperidine-1-carboxylate

C106H151F15N24O16 — CID 159748844

About 1,1,1-trifluoropropan-2-yl 2-[[3-tert-butyl-1-(oxan-4-yl)pyrazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4-cyano-1,3-dimethylpyrazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-methoxyethyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]-4-methylpiperidine-1-carboxylate

1,1,1-trifluoropropan-2-yl 2-[[3-tert-butyl-1-(oxan-4-yl)pyrazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4-cyano-1,3-dimethylpyrazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-methoxyethyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]-4-methylpiperidine-1-carboxylate (PubChem CID 159748844) has the molecular formula C106H151F15N24O16 and a molecular weight of 2302.50 g/mol. Its IUPAC name is 1,1,1-trifluoropropan-2-yl 2-[[3-tert-butyl-1-(oxan-4-yl)pyrazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4-cyano-1,3-dimethylpyrazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-methoxyethyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]-4-methylpiperidine-1-carboxylate.

Molecular Properties

• Compound Name: 1,1,1-trifluoropropan-2-yl 2-[[3-tert-butyl-1-(oxan-4-yl)pyrazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4-cyano-1,3-dimethylpyrazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-methoxyethyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]-4-methylpiperidine-1-carboxylate
• PubChem CID: 159748844
• Molecular Formula: C106H151F15N24O16
• Molecular Weight: 2302.50 g/mol
• Exact Mass: 2301.15
• IUPAC Name: 1,1,1-trifluoropropan-2-yl 2-[[3-tert-butyl-1-(oxan-4-yl)pyrazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4-cyano-1,3-dimethylpyrazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-methoxyethyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]-4-methylpiperidine-1-carboxylate
• SMILES: CC(OC(=O)N1CCC(C)(N(C)C(=O)c2cn3c(n2)CN(C2CC2)CC3)CC1)C(F)(F)F.CC(OC(=O)N1CCC(C)(N(C)C(=O)c2nnc3n2CCN(C2CC2)C3)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCN(Cc3cc(C(C)(C)C)nn3C3CCOCC3)C2)CC1)C(F)(F)F.COCCN(C(=O)C1(c2ncccn2)CC1)C1(C)CCN(C(=O)OC(C)C(F)(F)F)CC1.Cc1nn(C)c(C(=O)N2CCCC23CCN(C(=O)OC(C)C(F)(F)F)CC3)c1C#N
• InChI: InChI=1S/C25H39F3N4O3.C21H30F3N5O3.C21H29F3N4O4.C20H29F3N6O3.C19H24F3N5O3/c1-18(25(26,27)28)35-22(33)31-11-8-24(9-12-31)7-10-30(17-24)16-20-15-21(23(2,3)4)29-32(20)19-5-13-34-14-6-19;1-14(21(22,23)24)32-19(31)27-8-6-20(2,7-9-27)26(3)18(30)16-12-29-11-10-28(15-4-5-15)13-17(29)25-16;1-15(21(22,23)24)32-18(30)27-11-7-19(2,8-12-27)28(13-14-31-3)17(29)20(5-6-20)16-25-9-4-10-26-16;1-13(20(21,22)23)32-18(31)27-8-6-19(2,7-9-27)26(3)17(30)16-25-24-15-12-28(14-4-5-14)10-11-29(15)16;1-12-14(11-23)15(25(3)24-12)16(28)27-8-4-5-18(27)6-9-26(10-7-18)17(29)30-13(2)19(20,21)22/h15,18-19H,5-14,16-17H2,1-4H3;12,14-15H,4-11,13H2,1-3H3;4,9-10,15H,5-8,11-14H2,1-3H3;13-14H,4-12H2,1-3H3;13H,4-10H2,1-3H3
• InChIKey: NDJUCZZKECILAU-UHFFFAOYSA-N
• XLogP: 15.74
• TPSA: 390.86 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 21
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2302.50
LogP ≤ 5	15.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoropropan-2-yl 2-[[3-tert-butyl-1-(oxan-4-yl)pyrazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4-cyano-1,3-dimethylpyrazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-methoxyethyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]-4-methylpiperidine-1-carboxylate?

The IUPAC name of 1,1,1-trifluoropropan-2-yl 2-[[3-tert-butyl-1-(oxan-4-yl)pyrazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4-cyano-1,3-dimethylpyrazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-methoxyethyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]-4-methylpiperidine-1-carboxylate (CID 159748844) is 1,1,1-trifluoropropan-2-yl 2-[[3-tert-butyl-1-(oxan-4-yl)pyrazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4-cyano-1,3-dimethylpyrazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-methoxyethyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]-4-methylpiperidine-1-carboxylate.

What is the SMILES notation for 1,1,1-trifluoropropan-2-yl 2-[[3-tert-butyl-1-(oxan-4-yl)pyrazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4-cyano-1,3-dimethylpyrazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-methoxyethyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]-4-methylpiperidine-1-carboxylate?

The canonical SMILES for 1,1,1-trifluoropropan-2-yl 2-[[3-tert-butyl-1-(oxan-4-yl)pyrazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4-cyano-1,3-dimethylpyrazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-methoxyethyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]-4-methylpiperidine-1-carboxylate is CC(OC(=O)N1CCC(C)(N(C)C(=O)c2cn3c(n2)CN(C2CC2)CC3)CC1)C(F)(F)F.CC(OC(=O)N1CCC(C)(N(C)C(=O)c2nnc3n2CCN(C2CC2)C3)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCN(Cc3cc(C(C)(C)C)nn3C3CCOCC3)C2)CC1)C(F)(F)F.COCCN(C(=O)C1(c2ncccn2)CC1)C1(C)CCN(C(=O)OC(C)C(F)(F)F)CC1.Cc1nn(C)c(C(=O)N2CCCC23CCN(C(=O)OC(C)C(F)(F)F)CC3)c1C#N.

What is the InChIKey of 1,1,1-trifluoropropan-2-yl 2-[[3-tert-butyl-1-(oxan-4-yl)pyrazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4-cyano-1,3-dimethylpyrazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-methoxyethyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]-4-methylpiperidine-1-carboxylate?

The InChIKey is NDJUCZZKECILAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39F3N4O3.C21H30F3N5O3.C21H29F3N4O4.C20H29F3N6O3.C19H24F3N5O3/c1-18(25(26,27)28)35-22(33)31-11-8-24(9-12-31)7-10-30(17-24)16-20-15-21(23(2,3)4)29-32(20)19-5-13-34-14-6-19;1-14(21(22,23)24)32-19(31)27-8-6-20(2,7-9-27)26(3)18(30)16-12-29-11-10-28(15-4-5-15)13-17(29)25-16;1-15(21(22,23)24)32-18(30)27-11-7-19(2,8-12-27)28(13-14-31-3)17(29)20(5-6-20)16-25-9-4-10-26-16;1-13(20(21,22)23)32-18(31)27-8-6-19(2,7-9-27)26(3)17(30)16-25-24-15-12-28(14-4-5-14)10-11-29(15)16;1-12-14(11-23)15(25(3)24-12)16(28)27-8-4-5-18(27)6-9-26(10-7-18)17(29)30-13(2)19(20,21)22/h15,18-19H,5-14,16-17H2,1-4H3;12,14-15H,4-11,13H2,1-3H3;4,9-10,15H,5-8,11-14H2,1-3H3;13-14H,4-12H2,1-3H3;13H,4-10H2,1-3H3.

What are the key properties of 1,1,1-trifluoropropan-2-yl 2-[[3-tert-butyl-1-(oxan-4-yl)pyrazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4-cyano-1,3-dimethylpyrazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-methoxyethyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]-4-methylpiperidine-1-carboxylate?

1,1,1-trifluoropropan-2-yl 2-[[3-tert-butyl-1-(oxan-4-yl)pyrazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4-cyano-1,3-dimethylpyrazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-methoxyethyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]-4-methylpiperidine-1-carboxylate has a molecular weight of 2302.50 g/mol, XLogP of 15.74, 21 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1-trifluoropropan-2-yl 2-[[3-tert-butyl-1-(oxan-4-yl)pyrazol-5-yl]methyl]-2,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(4-cyano-1,3-dimethylpyrazole-5-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[(7-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carbonyl)-methylamino]-4-methylpiperidine-1-carboxylate;1,1,1-trifluoropropan-2-yl 4-[2-methoxyethyl-(1-pyrimidin-2-ylcyclopropanecarbonyl)amino]-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 159748844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).