azetidin-3-ol;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphane;bis(bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane);4-chloro-2,5-dimethylquinazoline;5-chloro-6-methyl-2-piperidin-2-ylpyrazolo[1,5-a]pyrimidine;4-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-2,5-dimethylquinazoline;1-[2-[1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;1-[2-[(2S)-1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;1-[2-[(2R)-1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;methyl thiohypofluorite;hydrochloride

C123H264Cl4FN34O4P113S — CID 162253202

IUPACazetidin-3-ol;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphane;bis(bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane);4-chloro-2,5-dimethylquinazoline;5-chloro-6-methyl-2-piperidin-2-ylpyrazolo[1,5-a]pyrimidine;4-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-2,5-dimethylquinazoline;1-[2-[1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;1-[2-[(2S)-1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;1-[2-[(2R)-1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;methyl thiohypofluorite;hydrochloride
SMILESCSF.Cc1cn2nc(C3CCCCN3)cc2nc1Cl.Cc1nc(Cl)c2c(C)cccc2n1.Cc1nc(N2CCCCC2c2cc3nc(Cl)c(C)cn3n2)c2c(C)cccc2n1.Cc1nc(N2CCCCC2c2cc3nc(N4CC(O)C4)c(C)cn3n2)c2c(C)cccc2n1.Cc1nc(N2CCCC[C@@H]2c2cc3nc(N4CC(O)C4)c(C)cn3n2)c2c(C)cccc2n1.Cc1nc(N2CCCC[C@H]2c2cc3nc(N4CC(O)C4)c(C)cn3n2)c2c(C)cccc2n1.Cl.OC1CNC1.PPP(P(P)P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.PPP(P(P)P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.PPP(P)P(P(P)P)P(P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/3C25H29N7O.C22H23ClN6.C12H15ClN4.C10H9ClN2.C3H7NO.CH3FS.ClH.H41P39.2H39P37/c3*1-15-7-6-8-19-23(15)25(27-17(3)26-19)31-10-5-4-9-21(31)20-11-22-28-24(30-13-18(33)14-30)16(2)12-32(22)29-20;1-13-7-6-8-16-20(13)22(25-15(3)24-16)28-10-5-4-9-18(28)17-11-19-26-21(23)14(2)12-29(19)27-17;1-8-7-17-11(15-12(8)13)6-10(16-17)9-4-2-3-5-14-9;1-6-4-3-5-8-9(6)10(11)13-7(2)12-8;5-3-1-4-2-3;1-3-2;;1-21-31(20)36(30(18)19)39(37(32(22(2)3)23(4)5)33(24(6)7)25(8)9)38(34(26(10)11)27(12)13)35(28(14)15)29(16)17;2*1-20-30(21(2)3)35(31(22(4)5)23(6)7)37(34(28(16)17)29(18)19)36(32(24(8)9)25(10)11)33(26(12)13)27(14)15/h3*6-8,11-12,18,21,33H,4-5,9-10,13-14H2,1-3H3;6-8,11-12,18H,4-5,9-10H2,1-3H3;6-7,9,14H,2-5H2,1H3;3-5H,1-2H3;3-5H,1-2H2;1H3;1H;21H,1-20H2;2*20H,1-19H2/t2*21-;;;;;;;;;;/m10........../s1
InChIKeyMXLWPKMPHALTQG-BJFYUUPHSA-N
MW5976.64 g/mol
LogP86.98
Rot. Bonds64

About azetidin-3-ol;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphane;bis(bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane);4-chloro-2,5-dimethylquinazoline;5-chloro-6-methyl-2-piperidin-2-ylpyrazolo[1,5-a]pyrimidine;4-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-2,5-dimethylquinazoline;1-[2-[1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;1-[2-[(2S)-1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;1-[2-[(2R)-1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;methyl thiohypofluorite;hydrochloride

azetidin-3-ol;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphane;bis(bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane);4-chloro-2,5-dimethylquinazoline;5-chloro-6-methyl-2-piperidin-2-ylpyrazolo[1,5-a]pyrimidine;4-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-2,5-dimethylquinazoline;1-[2-[1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;1-[2-[(2S)-1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;1-[2-[(2R)-1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;methyl thiohypofluorite;hydrochloride (PubChem CID 162253202) has the molecular formula C123H264Cl4FN34O4P113S and a molecular weight of 5976.64 g/mol. Its IUPAC name is azetidin-3-ol;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphane;bis(bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane);4-chloro-2,5-dimethylquinazoline;5-chloro-6-methyl-2-piperidin-2-ylpyrazolo[1,5-a]pyrimidine;4-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-2,5-dimethylquinazoline;1-[2-[1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;1-[2-[(2S)-1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;1-[2-[(2R)-1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;methyl thiohypofluorite;hydrochloride.

Molecular Properties

Compound Nameazetidin-3-ol;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphane;bis(bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane);4-chloro-2,5-dimethylquinazoline;5-chloro-6-methyl-2-piperidin-2-ylpyrazolo[1,5-a]pyrimidine;4-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-2,5-dimethylquinazoline;1-[2-[1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;1-[2-[(2S)-1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;1-[2-[(2R)-1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;methyl thiohypofluorite;hydrochloride
PubChem CID162253202
Molecular FormulaC123H264Cl4FN34O4P113S
Molecular Weight5976.64 g/mol
Exact Mass5973.03
IUPAC Nameazetidin-3-ol;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphane;bis(bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane);4-chloro-2,5-dimethylquinazoline;5-chloro-6-methyl-2-piperidin-2-ylpyrazolo[1,5-a]pyrimidine;4-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-2,5-dimethylquinazoline;1-[2-[1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;1-[2-[(2S)-1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;1-[2-[(2R)-1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;methyl thiohypofluorite;hydrochloride
SMILESCSF.Cc1cn2nc(C3CCCCN3)cc2nc1Cl.Cc1nc(Cl)c2c(C)cccc2n1.Cc1nc(N2CCCCC2c2cc3nc(Cl)c(C)cn3n2)c2c(C)cccc2n1.Cc1nc(N2CCCCC2c2cc3nc(N4CC(O)C4)c(C)cn3n2)c2c(C)cccc2n1.Cc1nc(N2CCCC[C@@H]2c2cc3nc(N4CC(O)C4)c(C)cn3n2)c2c(C)cccc2n1.Cc1nc(N2CCCC[C@H]2c2cc3nc(N4CC(O)C4)c(C)cn3n2)c2c(C)cccc2n1.Cl.OC1CNC1.PPP(P(P)P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.PPP(P(P)P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.PPP(P)P(P(P)P)P(P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P
InChIInChI=1S/3C25H29N7O.C22H23ClN6.C12H15ClN4.C10H9ClN2.C3H7NO.CH3FS.ClH.H41P39.2H39P37/c3*1-15-7-6-8-19-23(15)25(27-17(3)26-19)31-10-5-4-9-21(31)20-11-22-28-24(30-13-18(33)14-30)16(2)12-32(22)29-20;1-13-7-6-8-16-20(13)22(25-15(3)24-16)28-10-5-4-9-18(28)17-11-19-26-21(23)14(2)12-29(19)27-17;1-8-7-17-11(15-12(8)13)6-10(16-17)9-4-2-3-5-14-9;1-6-4-3-5-8-9(6)10(11)13-7(2)12-8;5-3-1-4-2-3;1-3-2;;1-21-31(20)36(30(18)19)39(37(32(22(2)3)23(4)5)33(24(6)7)25(8)9)38(34(26(10)11)27(12)13)35(28(14)15)29(16)17;2*1-20-30(21(2)3)35(31(22(4)5)23(6)7)37(34(28(16)17)29(18)19)36(32(24(8)9)25(10)11)33(26(12)13)27(14)15/h3*6-8,11-12,18,21,33H,4-5,9-10,13-14H2,1-3H3;6-8,11-12,18H,4-5,9-10H2,1-3H3;6-7,9,14H,2-5H2,1H3;3-5H,1-2H3;3-5H,1-2H2;1H3;1H;21H,1-20H2;2*20H,1-19H2/t2*21-;;;;;;;;;;/m10........../s1
InChIKeyMXLWPKMPHALTQG-BJFYUUPHSA-N
XLogP86.98
TPSA407.51 Ų
H-Bond Donors6
H-Bond Acceptors39
Rotatable Bonds64
Heavy Atoms280
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005976.64
LogP ≤ 586.98
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1039

Analyze azetidin-3-ol;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphane;bis(bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane);4-chloro-2,5-dimethylquinazoline;5-chloro-6-methyl-2-piperidin-2-ylpyrazolo[1,5-a]pyrimidine;4-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-2,5-dimethylquinazoline;1-[2-[1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;1-[2-[(2S)-1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;1-[2-[(2R)-1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;methyl thiohypofluorite;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of azetidin-3-ol;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphane;bis(bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane);4-chloro-2,5-dimethylquinazoline;5-chloro-6-methyl-2-piperidin-2-ylpyrazolo[1,5-a]pyrimidine;4-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-2,5-dimethylquinazoline;1-[2-[1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;1-[2-[(2S)-1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;1-[2-[(2R)-1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;methyl thiohypofluorite;hydrochloride?
The IUPAC name of azetidin-3-ol;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphane;bis(bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane);4-chloro-2,5-dimethylquinazoline;5-chloro-6-methyl-2-piperidin-2-ylpyrazolo[1,5-a]pyrimidine;4-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-2,5-dimethylquinazoline;1-[2-[1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;1-[2-[(2S)-1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;1-[2-[(2R)-1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;methyl thiohypofluorite;hydrochloride (CID 162253202) is azetidin-3-ol;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphane;bis(bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane);4-chloro-2,5-dimethylquinazoline;5-chloro-6-methyl-2-piperidin-2-ylpyrazolo[1,5-a]pyrimidine;4-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-2,5-dimethylquinazoline;1-[2-[1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;1-[2-[(2S)-1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;1-[2-[(2R)-1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;methyl thiohypofluorite;hydrochloride.
What is the SMILES notation for azetidin-3-ol;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphane;bis(bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane);4-chloro-2,5-dimethylquinazoline;5-chloro-6-methyl-2-piperidin-2-ylpyrazolo[1,5-a]pyrimidine;4-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-2,5-dimethylquinazoline;1-[2-[1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;1-[2-[(2S)-1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;1-[2-[(2R)-1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;methyl thiohypofluorite;hydrochloride?
The canonical SMILES for azetidin-3-ol;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphane;bis(bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane);4-chloro-2,5-dimethylquinazoline;5-chloro-6-methyl-2-piperidin-2-ylpyrazolo[1,5-a]pyrimidine;4-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-2,5-dimethylquinazoline;1-[2-[1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;1-[2-[(2S)-1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;1-[2-[(2R)-1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;methyl thiohypofluorite;hydrochloride is CSF.Cc1cn2nc(C3CCCCN3)cc2nc1Cl.Cc1nc(Cl)c2c(C)cccc2n1.Cc1nc(N2CCCCC2c2cc3nc(Cl)c(C)cn3n2)c2c(C)cccc2n1.Cc1nc(N2CCCCC2c2cc3nc(N4CC(O)C4)c(C)cn3n2)c2c(C)cccc2n1.Cc1nc(N2CCCC[C@@H]2c2cc3nc(N4CC(O)C4)c(C)cn3n2)c2c(C)cccc2n1.Cc1nc(N2CCCC[C@H]2c2cc3nc(N4CC(O)C4)c(C)cn3n2)c2c(C)cccc2n1.Cl.OC1CNC1.PPP(P(P)P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.PPP(P(P)P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.PPP(P)P(P(P)P)P(P(P(P(P)P)P(P)P)P(P(P)P)P(P)P)P(P(P(P)P)P(P)P)P(P(P)P)P(P)P.
What is the InChIKey of azetidin-3-ol;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphane;bis(bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane);4-chloro-2,5-dimethylquinazoline;5-chloro-6-methyl-2-piperidin-2-ylpyrazolo[1,5-a]pyrimidine;4-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-2,5-dimethylquinazoline;1-[2-[1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;1-[2-[(2S)-1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;1-[2-[(2R)-1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;methyl thiohypofluorite;hydrochloride?
The InChIKey is MXLWPKMPHALTQG-BJFYUUPHSA-N. The full InChI is InChI=1S/3C25H29N7O.C22H23ClN6.C12H15ClN4.C10H9ClN2.C3H7NO.CH3FS.ClH.H41P39.2H39P37/c3*1-15-7-6-8-19-23(15)25(27-17(3)26-19)31-10-5-4-9-21(31)20-11-22-28-24(30-13-18(33)14-30)16(2)12-32(22)29-20;1-13-7-6-8-16-20(13)22(25-15(3)24-16)28-10-5-4-9-18(28)17-11-19-26-21(23)14(2)12-29(19)27-17;1-8-7-17-11(15-12(8)13)6-10(16-17)9-4-2-3-5-14-9;1-6-4-3-5-8-9(6)10(11)13-7(2)12-8;5-3-1-4-2-3;1-3-2;;1-21-31(20)36(30(18)19)39(37(32(22(2)3)23(4)5)33(24(6)7)25(8)9)38(34(26(10)11)27(12)13)35(28(14)15)29(16)17;2*1-20-30(21(2)3)35(31(22(4)5)23(6)7)37(34(28(16)17)29(18)19)36(32(24(8)9)25(10)11)33(26(12)13)27(14)15/h3*6-8,11-12,18,21,33H,4-5,9-10,13-14H2,1-3H3;6-8,11-12,18H,4-5,9-10H2,1-3H3;6-7,9,14H,2-5H2,1H3;3-5H,1-2H3;3-5H,1-2H2;1H3;1H;21H,1-20H2;2*20H,1-19H2/t2*21-;;;;;;;;;;/m10........../s1.
What are the key properties of azetidin-3-ol;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphane;bis(bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane);4-chloro-2,5-dimethylquinazoline;5-chloro-6-methyl-2-piperidin-2-ylpyrazolo[1,5-a]pyrimidine;4-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-2,5-dimethylquinazoline;1-[2-[1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;1-[2-[(2S)-1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;1-[2-[(2R)-1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;methyl thiohypofluorite;hydrochloride?
azetidin-3-ol;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphane;bis(bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane);4-chloro-2,5-dimethylquinazoline;5-chloro-6-methyl-2-piperidin-2-ylpyrazolo[1,5-a]pyrimidine;4-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-2,5-dimethylquinazoline;1-[2-[1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;1-[2-[(2S)-1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;1-[2-[(2R)-1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;methyl thiohypofluorite;hydrochloride has a molecular weight of 5976.64 g/mol, XLogP of 86.98, 64 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-ol;bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-[bis(phosphanyl)phosphanyl-[diphosphanyl(phosphanyl)phosphanyl]phosphanyl]phosphane;bis(bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis[bis(phosphanyl)phosphanyl]phosphanyl-[bis(phosphanyl)phosphanyl-(diphosphanyl)phosphanyl]phosphanyl]phosphanyl]phosphane);4-chloro-2,5-dimethylquinazoline;5-chloro-6-methyl-2-piperidin-2-ylpyrazolo[1,5-a]pyrimidine;4-[2-(5-chloro-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidin-1-yl]-2,5-dimethylquinazoline;1-[2-[1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;1-[2-[(2S)-1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;1-[2-[(2R)-1-(2,5-dimethylquinazolin-4-yl)piperidin-2-yl]-6-methylpyrazolo[1,5-a]pyrimidin-5-yl]azetidin-3-ol;methyl thiohypofluorite;hydrochloride is sourced from PubChem (CID 162253202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).