1-[2-amino-3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-4-(pyrrolidin-1-ylmethyl)piperidine-4-carboxamide;8-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)oxyphenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[2-amino-3-chloro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C88H97Cl4F3N22O9S — CID 160762671

IUPAC1-[2-amino-3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-4-(pyrrolidin-1-ylmethyl)piperidine-4-carboxamide;8-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)oxyphenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[2-amino-3-chloro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1c2ccc(-c3cnc(N)c(Cl)c3N3CCC(CN4CCCC4)(C(N)=O)CC3)cc2CS1(=O)=O.Cn1cc(-c2ccc(-c3cnc(N)c(Cl)c3N3CCC4(CC3)CNC(=O)O4)cc2)cn1.Cn1cc(Oc2ccc(-c3cnc(N)c(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)cn1.Nc1ncc(-c2ccc(C(F)(F)F)cc2)c(N2CCC3(CC2)CNC(=O)O3)c1Cl
InChIInChI=1S/C24H31ClN6O3S.C23H25ClN6O2.C22H23ClN6O2.C19H18ClF3N4O2/c1-29-19-5-4-16(12-17(19)14-35(29,33)34)18-13-28-22(26)20(25)21(18)31-10-6-24(7-11-31,23(27)32)15-30-8-2-3-9-30;1-29-14-17(12-28-29)32-16-4-2-15(3-5-16)18-13-27-21(25)19(24)20(18)30-10-7-23(8-11-30)6-9-26-22(23)31;1-28-12-16(10-27-28)14-2-4-15(5-3-14)17-11-25-20(24)18(23)19(17)29-8-6-22(7-9-29)13-26-21(30)31-22;20-14-15(27-7-5-18(6-8-27)10-26-17(28)29-18)13(9-25-16(14)24)11-1-3-12(4-2-11)19(21,22)23/h4-5,12-13H,2-3,6-11,14-15H2,1H3,(H2,26,28)(H2,27,32);2-5,12-14H,6-11H2,1H3,(H2,25,27)(H,26,31);2-5,10-12H,6-9,13H2,1H3,(H2,24,25)(H,26,30);1-4,9H,5-8,10H2,(H2,24,25)(H,26,28)
InChIKeyRYGPXKZDTAOVIE-UHFFFAOYSA-N
MW1837.76 g/mol
LogP13.59
Rot. Bonds14

About 1-[2-amino-3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-4-(pyrrolidin-1-ylmethyl)piperidine-4-carboxamide;8-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)oxyphenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[2-amino-3-chloro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

1-[2-amino-3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-4-(pyrrolidin-1-ylmethyl)piperidine-4-carboxamide;8-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)oxyphenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[2-amino-3-chloro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 160762671) has the molecular formula C88H97Cl4F3N22O9S and a molecular weight of 1837.76 g/mol. Its IUPAC name is 1-[2-amino-3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-4-(pyrrolidin-1-ylmethyl)piperidine-4-carboxamide;8-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)oxyphenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[2-amino-3-chloro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-[2-amino-3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-4-(pyrrolidin-1-ylmethyl)piperidine-4-carboxamide;8-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)oxyphenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[2-amino-3-chloro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID160762671
Molecular FormulaC88H97Cl4F3N22O9S
Molecular Weight1837.76 g/mol
Exact Mass1834.62
IUPAC Name1-[2-amino-3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-4-(pyrrolidin-1-ylmethyl)piperidine-4-carboxamide;8-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)oxyphenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[2-amino-3-chloro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1c2ccc(-c3cnc(N)c(Cl)c3N3CCC(CN4CCCC4)(C(N)=O)CC3)cc2CS1(=O)=O.Cn1cc(-c2ccc(-c3cnc(N)c(Cl)c3N3CCC4(CC3)CNC(=O)O4)cc2)cn1.Cn1cc(Oc2ccc(-c3cnc(N)c(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)cn1.Nc1ncc(-c2ccc(C(F)(F)F)cc2)c(N2CCC3(CC2)CNC(=O)O3)c1Cl
InChIInChI=1S/C24H31ClN6O3S.C23H25ClN6O2.C22H23ClN6O2.C19H18ClF3N4O2/c1-29-19-5-4-16(12-17(19)14-35(29,33)34)18-13-28-22(26)20(25)21(18)31-10-6-24(7-11-31,23(27)32)15-30-8-2-3-9-30;1-29-14-17(12-28-29)32-16-4-2-15(3-5-16)18-13-27-21(25)19(24)20(18)30-10-7-23(8-11-30)6-9-26-22(23)31;1-28-12-16(10-27-28)14-2-4-15(5-3-14)17-11-25-20(24)18(23)19(17)29-8-6-22(7-9-29)13-26-21(30)31-22;20-14-15(27-7-5-18(6-8-27)10-26-17(28)29-18)13(9-25-16(14)24)11-1-3-12(4-2-11)19(21,22)23/h4-5,12-13H,2-3,6-11,14-15H2,1H3,(H2,26,28)(H2,27,32);2-5,12-14H,6-11H2,1H3,(H2,25,27)(H,26,31);2-5,10-12H,6-9,13H2,1H3,(H2,24,25)(H,26,30);1-4,9H,5-8,10H2,(H2,24,25)(H,26,28)
InChIKeyRYGPXKZDTAOVIE-UHFFFAOYSA-N
XLogP13.59
TPSA402.94 Ų
H-Bond Donors8
H-Bond Acceptors26
Rotatable Bonds14
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001837.76
LogP ≤ 513.59
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1026

Analyze 1-[2-amino-3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-4-(pyrrolidin-1-ylmethyl)piperidine-4-carboxamide;8-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)oxyphenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[2-amino-3-chloro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

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Related Compounds

8-[3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 127046538
8-[2-amino-3-chloro-5-(1-methylindazol-5-yl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 74222108
8-[2-but-3-ynyl-3-ethyl-5-[4-(1-methylpyrazol-4-yl)oxyphenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 123558358
8-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione;8-[2-[bis[(4-methoxyphenyl)methyl]amino]-5-bromo-3-chloro-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione;8-[2-[bis[(4-methoxyphenyl)methyl]amino]-3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decane-1,3-dione;5-bromo-3,4-dichloro-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine;5-bromo-3,4-dichloropyridin-2-amine;2,8-diazaspiro[4.5]decane-1,3-dione;1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole
CID 159311721
5-[6-amino-5-hydroxy-4-(5-oxo-1,4,9-triazaspiro[5.5]undecan-9-yl)-3-pyridinyl]-1-methyl-2,2-dioxo-2,1-benzothiazol-3-one
CID 74222966
N-[2-amino-5-(1-methylpyrazol-4-yl)phenyl]-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
CID 90643783
8-[3-[4-(1-methylpyrazol-4-yl)phenyl]imidazo[1,2-a]pyridin-5-yl]-2,8-diazaspiro[4.5]decan-1-one
CID 135260537
8-[5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 56602927
1'-methyl-6-(1-methylpyrazol-4-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 143739831
8-[3-chloro-5-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 118407974
8-[3-[4-(1H-pyrazol-1-ium-4-yl)phenyl]-5-(trifluoromethyl)-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 163834187
8-[4-(3-piperidin-1-ylpropoxy)phenyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66783967

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-4-(pyrrolidin-1-ylmethyl)piperidine-4-carboxamide;8-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)oxyphenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[2-amino-3-chloro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-[2-amino-3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-4-(pyrrolidin-1-ylmethyl)piperidine-4-carboxamide;8-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)oxyphenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[2-amino-3-chloro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 160762671) is 1-[2-amino-3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-4-(pyrrolidin-1-ylmethyl)piperidine-4-carboxamide;8-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)oxyphenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[2-amino-3-chloro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-[2-amino-3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-4-(pyrrolidin-1-ylmethyl)piperidine-4-carboxamide;8-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)oxyphenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[2-amino-3-chloro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-[2-amino-3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-4-(pyrrolidin-1-ylmethyl)piperidine-4-carboxamide;8-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)oxyphenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[2-amino-3-chloro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CN1c2ccc(-c3cnc(N)c(Cl)c3N3CCC(CN4CCCC4)(C(N)=O)CC3)cc2CS1(=O)=O.Cn1cc(-c2ccc(-c3cnc(N)c(Cl)c3N3CCC4(CC3)CNC(=O)O4)cc2)cn1.Cn1cc(Oc2ccc(-c3cnc(N)c(Cl)c3N3CCC4(CCNC4=O)CC3)cc2)cn1.Nc1ncc(-c2ccc(C(F)(F)F)cc2)c(N2CCC3(CC2)CNC(=O)O3)c1Cl.
What is the InChIKey of 1-[2-amino-3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-4-(pyrrolidin-1-ylmethyl)piperidine-4-carboxamide;8-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)oxyphenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[2-amino-3-chloro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is RYGPXKZDTAOVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN6O3S.C23H25ClN6O2.C22H23ClN6O2.C19H18ClF3N4O2/c1-29-19-5-4-16(12-17(19)14-35(29,33)34)18-13-28-22(26)20(25)21(18)31-10-6-24(7-11-31,23(27)32)15-30-8-2-3-9-30;1-29-14-17(12-28-29)32-16-4-2-15(3-5-16)18-13-27-21(25)19(24)20(18)30-10-7-23(8-11-30)6-9-26-22(23)31;1-28-12-16(10-27-28)14-2-4-15(5-3-14)17-11-25-20(24)18(23)19(17)29-8-6-22(7-9-29)13-26-21(30)31-22;20-14-15(27-7-5-18(6-8-27)10-26-17(28)29-18)13(9-25-16(14)24)11-1-3-12(4-2-11)19(21,22)23/h4-5,12-13H,2-3,6-11,14-15H2,1H3,(H2,26,28)(H2,27,32);2-5,12-14H,6-11H2,1H3,(H2,25,27)(H,26,31);2-5,10-12H,6-9,13H2,1H3,(H2,24,25)(H,26,30);1-4,9H,5-8,10H2,(H2,24,25)(H,26,28).
What are the key properties of 1-[2-amino-3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-4-(pyrrolidin-1-ylmethyl)piperidine-4-carboxamide;8-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)oxyphenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[2-amino-3-chloro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
1-[2-amino-3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-4-(pyrrolidin-1-ylmethyl)piperidine-4-carboxamide;8-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)oxyphenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[2-amino-3-chloro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 1837.76 g/mol, XLogP of 13.59, 14 rotatable bonds, 8 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-3-chloro-5-(1-methyl-2,2-dioxo-3H-2,1-benzothiazol-5-yl)-4-pyridinyl]-4-(pyrrolidin-1-ylmethyl)piperidine-4-carboxamide;8-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)oxyphenyl]-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one;8-[2-amino-3-chloro-5-[4-(1-methylpyrazol-4-yl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;8-[2-amino-3-chloro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 160762671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).