About 1,1,1-trifluoropropan-2-yl 1-(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxetan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;2-[2-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetic acid;1,1,1-trifluoropropan-2-yl 1-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate
1,1,1-trifluoropropan-2-yl 1-(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxetan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;2-[2-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetic acid;1,1,1-trifluoropropan-2-yl 1-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 158007257) has the molecular formula C122H154ClF18N31O21
and a molecular weight of 2768.19 g/mol. Its IUPAC name is 1,1,1-trifluoropropan-2-yl 1-(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxetan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;2-[2-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetic acid;1,1,1-trifluoropropan-2-yl 1-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate.
Frequently Asked Questions
What is the IUPAC name of 1,1,1-trifluoropropan-2-yl 1-(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxetan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;2-[2-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetic acid;1,1,1-trifluoropropan-2-yl 1-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of 1,1,1-trifluoropropan-2-yl 1-(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxetan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;2-[2-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetic acid;1,1,1-trifluoropropan-2-yl 1-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate (CID 158007257) is 1,1,1-trifluoropropan-2-yl 1-(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxetan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;2-[2-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetic acid;1,1,1-trifluoropropan-2-yl 1-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for 1,1,1-trifluoropropan-2-yl 1-(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxetan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;2-[2-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetic acid;1,1,1-trifluoropropan-2-yl 1-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for 1,1,1-trifluoropropan-2-yl 1-(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxetan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;2-[2-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetic acid;1,1,1-trifluoropropan-2-yl 1-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate is CC(OC(=O)N1CCC2(CCCN2C(=O)c2cc3n(n2)CCN(CC2CC2)C3)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2cn3c(n2)CN(C2COC2)CC3)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2cn3c(n2)CN(CC(=O)O)CC3)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2cn3ccncc3n2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2nc3ncccn3n2)CC1)C(F)(F)F.CC(OC(=O)N1CCC2(CCCN2C(=O)c2nn3cccnc3c2Cl)CC1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoropropan-2-yl 1-(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxetan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;2-[2-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetic acid;1,1,1-trifluoropropan-2-yl 1-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate?
The InChIKey is FELHDFWVACVIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32F3N5O3.C22H30F3N5O4.C21H28F3N5O5.C19H21ClF3N5O3.C19H22F3N5O3.C18H21F3N6O3/c1-16(23(24,25)26)34-21(33)29-9-6-22(7-10-29)5-2-8-30(22)20(32)19-13-18-15-28(14-17-3-4-17)11-12-31(18)27-19;1-15(22(23,24)25)34-20(32)27-7-4-21(5-8-27)3-2-6-30(21)19(31)17-11-29-10-9-28(12-18(29)26-17)16-13-33-14-16;1-14(21(22,23)24)34-19(33)27-7-4-20(5-8-27)3-2-6-29(20)18(32)15-11-28-10-9-26(13-17(30)31)12-16(28)25-15;1-12(19(21,22)23)31-17(30)26-10-5-18(6-11-26)4-2-8-27(18)16(29)14-13(20)15-24-7-3-9-28(15)25-14;1-13(19(20,21)22)30-17(29)25-8-4-18(5-9-25)3-2-7-27(18)16(28)14-12-26-10-6-23-11-15(26)24-14;1-12(18(19,20)21)30-16(29)25-10-5-17(6-11-25)4-2-8-26(17)14(28)13-23-15-22-7-3-9-27(15)24-13/h13,16-17H,2-12,14-15H2,1H3;11,15-16H,2-10,12-14H2,1H3;11,14H,2-10,12-13H2,1H3,(H,30,31);3,7,9,12H,2,4-6,8,10-11H2,1H3;6,10-13H,2-5,7-9H2,1H3;3,7,9,12H,2,4-6,8,10-11H2,1H3.
What are the key properties of 1,1,1-trifluoropropan-2-yl 1-(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxetan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;2-[2-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetic acid;1,1,1-trifluoropropan-2-yl 1-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate?
1,1,1-trifluoropropan-2-yl 1-(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxetan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;2-[2-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetic acid;1,1,1-trifluoropropan-2-yl 1-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 2768.19 g/mol, XLogP of 16.17, 17 rotatable bonds, 1 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoropropan-2-yl 1-(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-(imidazo[1,2-a]pyrazine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate;1,1,1-trifluoropropan-2-yl 1-[7-(oxetan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carbonyl]-1,8-diazaspiro[4.5]decane-8-carboxylate;2-[2-[8-(1,1,1-trifluoropropan-2-yloxycarbonyl)-1,8-diazaspiro[4.5]decane-1-carbonyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]acetic acid;1,1,1-trifluoropropan-2-yl 1-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-1,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 158007257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).