tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate;3-[4-[4-[(1-methylpyrazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-(1H-pyrazol-4-yl)-4-(3H-pyrrol-4-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

C95H97F12N31O5 — CID 160941445

About tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate;3-[4-[4-[(1-methylpyrazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-(1H-pyrazol-4-yl)-4-(3H-pyrrol-4-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine

tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate;3-[4-[4-[(1-methylpyrazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-(1H-pyrazol-4-yl)-4-(3H-pyrrol-4-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 160941445) has the molecular formula C95H97F12N31O5 and a molecular weight of 1981.01 g/mol. Its IUPAC name is tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate;3-[4-[4-[(1-methylpyrazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-(1H-pyrazol-4-yl)-4-(3H-pyrrol-4-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate;3-[4-[4-[(1-methylpyrazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-(1H-pyrazol-4-yl)-4-(3H-pyrrol-4-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
• PubChem CID: 160941445
• Molecular Formula: C95H97F12N31O5
• Molecular Weight: 1981.01 g/mol
• Exact Mass: 1979.81
• IUPAC Name: tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate;3-[4-[4-[(1-methylpyrazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-(1H-pyrazol-4-yl)-4-(3H-pyrrol-4-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
• SMILES: CC(C)(C)OC(=O)N1CC2(C1)CN(c1ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n1)CCO2.CC(C)(C)OC(=O)N1CC2(CCCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)C2)C1.Cn1cc(CN2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)cn1.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(CC5=CN=CC5)C(c5cn[nH]c5)C4)n3)n2c1
• InChI: InChI=1S/C24H23F3N10.C24H22F3N9.C24H27F3N6O2.C23H25F3N6O3/c1-34-12-16(8-32-34)13-35-6-7-36(15-20(35)17-9-30-31-10-17)22-4-5-28-23(33-22)19-11-29-21-3-2-18(14-37(19)21)24(25,26)27;25-24(26,27)18-1-2-21-30-12-19(36(21)14-18)23-29-6-4-22(33-23)35-8-7-34(13-16-3-5-28-9-16)20(15-35)17-10-31-32-11-17;1-22(2,3)35-21(34)32-14-23(15-32)8-4-10-31(13-23)19-7-9-28-20(30-19)17-11-29-18-6-5-16(12-33(17)18)24(25,26)27;1-21(2,3)35-20(33)31-13-22(14-31)12-30(8-9-34-22)18-6-7-27-19(29-18)16-10-28-17-5-4-15(11-32(16)17)23(24,25)26/h2-5,8-12,14,20H,6-7,13,15H2,1H3,(H,30,31);1-2,4-6,9-12,14,20H,3,7-8,13,15H2,(H,31,32);5-7,9,11-12H,4,8,10,13-15H2,1-3H3;4-7,10-11H,8-9,12-14H2,1-3H3
• InChIKey: SUODRHRBNURABL-UHFFFAOYSA-N
• XLogP: 15.37
• TPSA: 347.61 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 32
• Rotatable Bonds: 14
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1981.01
LogP ≤ 5	15.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate;3-[4-[4-[(1-methylpyrazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-(1H-pyrazol-4-yl)-4-(3H-pyrrol-4-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?

The IUPAC name of tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate;3-[4-[4-[(1-methylpyrazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-(1H-pyrazol-4-yl)-4-(3H-pyrrol-4-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 160941445) is tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate;3-[4-[4-[(1-methylpyrazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-(1H-pyrazol-4-yl)-4-(3H-pyrrol-4-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine.

What is the SMILES notation for tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate;3-[4-[4-[(1-methylpyrazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-(1H-pyrazol-4-yl)-4-(3H-pyrrol-4-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?

The canonical SMILES for tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate;3-[4-[4-[(1-methylpyrazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-(1H-pyrazol-4-yl)-4-(3H-pyrrol-4-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is CC(C)(C)OC(=O)N1CC2(C1)CN(c1ccnc(-c3cnc4ccc(C(F)(F)F)cn34)n1)CCO2.CC(C)(C)OC(=O)N1CC2(CCCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)C2)C1.Cn1cc(CN2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2c2cn[nH]c2)cn1.FC(F)(F)c1ccc2ncc(-c3nccc(N4CCN(CC5=CN=CC5)C(c5cn[nH]c5)C4)n3)n2c1.

What is the InChIKey of tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate;3-[4-[4-[(1-methylpyrazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-(1H-pyrazol-4-yl)-4-(3H-pyrrol-4-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?

The InChIKey is SUODRHRBNURABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N10.C24H22F3N9.C24H27F3N6O2.C23H25F3N6O3/c1-34-12-16(8-32-34)13-35-6-7-36(15-20(35)17-9-30-31-10-17)22-4-5-28-23(33-22)19-11-29-21-3-2-18(14-37(19)21)24(25,26)27;25-24(26,27)18-1-2-21-30-12-19(36(21)14-18)23-29-6-4-22(33-23)35-8-7-34(13-16-3-5-28-9-16)20(15-35)17-10-31-32-11-17;1-22(2,3)35-21(34)32-14-23(15-32)8-4-10-31(13-23)19-7-9-28-20(30-19)17-11-29-18-6-5-16(12-33(17)18)24(25,26)27;1-21(2,3)35-20(33)31-13-22(14-31)12-30(8-9-34-22)18-6-7-27-19(29-18)16-10-28-17-5-4-15(11-32(16)17)23(24,25)26/h2-5,8-12,14,20H,6-7,13,15H2,1H3,(H,30,31);1-2,4-6,9-12,14,20H,3,7-8,13,15H2,(H,31,32);5-7,9,11-12H,4,8,10,13-15H2,1-3H3;4-7,10-11H,8-9,12-14H2,1-3H3.

What are the key properties of tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate;3-[4-[4-[(1-methylpyrazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-(1H-pyrazol-4-yl)-4-(3H-pyrrol-4-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine?

tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate;3-[4-[4-[(1-methylpyrazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-(1H-pyrazol-4-yl)-4-(3H-pyrrol-4-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 1981.01 g/mol, XLogP of 15.37, 14 rotatable bonds, 2 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-2,8-diazaspiro[3.5]nonane-2-carboxylate;tert-butyl 8-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]-5-oxa-2,8-diazaspiro[3.5]nonane-2-carboxylate;3-[4-[4-[(1-methylpyrazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[4-[3-(1H-pyrazol-4-yl)-4-(3H-pyrrol-4-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 160941445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).