[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-(cyclopropylmethyl)-methyl-oxo-λ6-sulfane;[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-ethyl-methyl-oxo-λ6-sulfane;[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-propan-2-yl-λ6-sulfane;1-[1-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-1-oxo-1,4-thiazinan-4-yl]ethanone;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;[2-(3-fluoro-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane

C124H153FN32O13S6 — CID 159221410

IUPAC[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-(cyclopropylmethyl)-methyl-oxo-λ6-sulfane;[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-ethyl-methyl-oxo-λ6-sulfane;[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-propan-2-yl-λ6-sulfane;1-[1-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-1-oxo-1,4-thiazinan-4-yl]ethanone;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;[2-(3-fluoro-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane
SMILESCC(=O)N1CCS(=O)(=Nc2cc(N3CCOC[C@H]3C)nc(-c3ccnc4c3C=CC4)n2)CC1.CC(C)S(C)(=O)=Nc1cc(N2CCOC[C@H]2C)nc(-c2ccnc3c2C=CC3)n1.CCS(C)(=O)=Nc1cc(N2CCOC[C@H]2C)nc(-c2ccnc3c2C=CC3)n1.C[C@@H]1COCCN1c1cc(N=S(C)(=O)CC2CC2)nc(-c2ccnc3c2C=CC3)n1.C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-c2c(F)cnc3c2C=CC3)n1.Cc1cc2c(-c3nc(N=S(C)(C)=O)cc(N4CCOC[C@H]4C)n3)ccnc2[nH]1
InChIInChI=1S/C23H28N6O3S.C22H27N5O2S.C21H27N5O2S.C20H25N5O2S.C19H22FN5O2S.C19H24N6O2S/c1-16-15-32-11-8-29(16)22-14-21(27-33(31)12-9-28(10-13-33)17(2)30)25-23(26-22)19-6-7-24-20-5-3-4-18(19)20;1-15-13-29-11-10-27(15)21-12-20(26-30(2,28)14-16-6-7-16)24-22(25-21)18-8-9-23-19-5-3-4-17(18)19;1-14(2)29(4,27)25-19-12-20(26-10-11-28-13-15(26)3)24-21(23-19)17-8-9-22-18-7-5-6-16(17)18;1-4-28(3,26)24-18-12-19(25-10-11-27-13-14(25)2)23-20(22-18)16-8-9-21-17-7-5-6-15(16)17;1-12-11-27-8-7-25(12)17-9-16(24-28(2,3)26)22-19(23-17)18-13-5-4-6-15(13)21-10-14(18)20;1-12-9-15-14(5-6-20-18(15)21-12)19-22-16(24-28(3,4)26)10-17(23-19)25-7-8-27-11-13(25)2/h3-4,6-7,14,16H,5,8-13,15H2,1-2H3;3-4,8-9,12,15-16H,5-7,10-11,13-14H2,1-2H3;5-6,8-9,12,14-15H,7,10-11,13H2,1-4H3;5-6,8-9,12,14H,4,7,10-11,13H2,1-3H3;4-5,9-10,12H,6-8,11H2,1-3H3;5-6,9-10,13H,7-8,11H2,1-4H3,(H,20,21)/t16-;15-,30?;15-,29?;14-,28?;12-;13-/m111111/s1
InChIKeyKRSVKWYLMWWZOK-BHUATLINSA-N
MW2511.20 g/mol
LogP18.06
Rot. Bonds22

About [2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-(cyclopropylmethyl)-methyl-oxo-λ6-sulfane;[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-ethyl-methyl-oxo-λ6-sulfane;[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-propan-2-yl-λ6-sulfane;1-[1-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-1-oxo-1,4-thiazinan-4-yl]ethanone;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;[2-(3-fluoro-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane

[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-(cyclopropylmethyl)-methyl-oxo-λ6-sulfane;[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-ethyl-methyl-oxo-λ6-sulfane;[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-propan-2-yl-λ6-sulfane;1-[1-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-1-oxo-1,4-thiazinan-4-yl]ethanone;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;[2-(3-fluoro-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane (PubChem CID 159221410) has the molecular formula C124H153FN32O13S6 and a molecular weight of 2511.20 g/mol. Its IUPAC name is [2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-(cyclopropylmethyl)-methyl-oxo-λ6-sulfane;[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-ethyl-methyl-oxo-λ6-sulfane;[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-propan-2-yl-λ6-sulfane;1-[1-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-1-oxo-1,4-thiazinan-4-yl]ethanone;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;[2-(3-fluoro-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-(cyclopropylmethyl)-methyl-oxo-λ6-sulfane;[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-ethyl-methyl-oxo-λ6-sulfane;[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-propan-2-yl-λ6-sulfane;1-[1-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-1-oxo-1,4-thiazinan-4-yl]ethanone;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;[2-(3-fluoro-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane
PubChem CID159221410
Molecular FormulaC124H153FN32O13S6
Molecular Weight2511.20 g/mol
Exact Mass2509.06
IUPAC Name[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-(cyclopropylmethyl)-methyl-oxo-λ6-sulfane;[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-ethyl-methyl-oxo-λ6-sulfane;[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-propan-2-yl-λ6-sulfane;1-[1-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-1-oxo-1,4-thiazinan-4-yl]ethanone;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;[2-(3-fluoro-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane
SMILESCC(=O)N1CCS(=O)(=Nc2cc(N3CCOC[C@H]3C)nc(-c3ccnc4c3C=CC4)n2)CC1.CC(C)S(C)(=O)=Nc1cc(N2CCOC[C@H]2C)nc(-c2ccnc3c2C=CC3)n1.CCS(C)(=O)=Nc1cc(N2CCOC[C@H]2C)nc(-c2ccnc3c2C=CC3)n1.C[C@@H]1COCCN1c1cc(N=S(C)(=O)CC2CC2)nc(-c2ccnc3c2C=CC3)n1.C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-c2c(F)cnc3c2C=CC3)n1.Cc1cc2c(-c3nc(N=S(C)(C)=O)cc(N4CCOC[C@H]4C)n3)ccnc2[nH]1
InChIInChI=1S/C23H28N6O3S.C22H27N5O2S.C21H27N5O2S.C20H25N5O2S.C19H22FN5O2S.C19H24N6O2S/c1-16-15-32-11-8-29(16)22-14-21(27-33(31)12-9-28(10-13-33)17(2)30)25-23(26-22)19-6-7-24-20-5-3-4-18(19)20;1-15-13-29-11-10-27(15)21-12-20(26-30(2,28)14-16-6-7-16)24-22(25-21)18-8-9-23-19-5-3-4-17(18)19;1-14(2)29(4,27)25-19-12-20(26-10-11-28-13-15(26)3)24-21(23-19)17-8-9-22-18-7-5-6-16(17)18;1-4-28(3,26)24-18-12-19(25-10-11-27-13-14(25)2)23-20(22-18)16-8-9-21-17-7-5-6-15(16)17;1-12-11-27-8-7-25(12)17-9-16(24-28(2,3)26)22-19(23-17)18-13-5-4-6-15(13)21-10-14(18)20;1-12-9-15-14(5-6-20-18(15)21-12)19-22-16(24-28(3,4)26)10-17(23-19)25-7-8-27-11-13(25)2/h3-4,6-7,14,16H,5,8-13,15H2,1-2H3;3-4,8-9,12,15-16H,5-7,10-11,13-14H2,1-2H3;5-6,8-9,12,14-15H,7,10-11,13H2,1-4H3;5-6,8-9,12,14H,4,7,10-11,13H2,1-3H3;4-5,9-10,12H,6-8,11H2,1-3H3;5-6,9-10,13H,7-8,11H2,1-4H3,(H,20,21)/t16-;15-,30?;15-,29?;14-,28?;12-;13-/m111111/s1
InChIKeyKRSVKWYLMWWZOK-BHUATLINSA-N
XLogP18.06
TPSA519.52 Ų
H-Bond Donors1
H-Bond Acceptors43
Rotatable Bonds22
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002511.20
LogP ≤ 518.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1043

Analyze [2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-(cyclopropylmethyl)-methyl-oxo-λ6-sulfane;[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-ethyl-methyl-oxo-λ6-sulfane;[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-propan-2-yl-λ6-sulfane;1-[1-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-1-oxo-1,4-thiazinan-4-yl]ethanone;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;[2-(3-fluoro-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane with MolForge

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Launch Full Analysis

Related Compounds

dimethyl-[6-(3-methylmorpholin-4-yl)-2-(1H-pyrazolo[3,4-b]pyridin-4-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane
CID 174205306
dimethyl-[[4-(3-methylmorpholin-4-yl)-6-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2-pyridinyl]imino]-oxo-λ6-sulfane
CID 139486658
1-[(3S)-3-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 159086952
1-[4-[S-methyl-N-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]sulfonimidoyl]piperidin-1-yl]propan-1-one
CID 137417786
[2-(2-methoxy-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane
CID 157051682
methyl 4-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]piperidine-1-carboxylate
CID 162245489
dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-[2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridin-7-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane
CID 137417745
[2-(1H-indol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane
CID 137417929
[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-(oxetan-3-yl)-oxo-λ6-sulfane;[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-(oxetan-3-yl)-oxo-λ6-sulfane;[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-(oxetan-3-yl)-oxo-λ6-sulfane;[2-(6-fluoro-5-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;[2-(3H-indol-7-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane
CID 162047928
4-[4-[(cyclopropyl-methyl-oxo-λ6-sulfanylidene)amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyrimidin-2-amine
CID 155658783
6-amino-4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-ethylpyridine-2-carboxamide
CID 137405570
4-[4-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 137417888

Frequently Asked Questions

What is the IUPAC name of [2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-(cyclopropylmethyl)-methyl-oxo-λ6-sulfane;[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-ethyl-methyl-oxo-λ6-sulfane;[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-propan-2-yl-λ6-sulfane;1-[1-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-1-oxo-1,4-thiazinan-4-yl]ethanone;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;[2-(3-fluoro-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane?
The IUPAC name of [2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-(cyclopropylmethyl)-methyl-oxo-λ6-sulfane;[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-ethyl-methyl-oxo-λ6-sulfane;[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-propan-2-yl-λ6-sulfane;1-[1-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-1-oxo-1,4-thiazinan-4-yl]ethanone;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;[2-(3-fluoro-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane (CID 159221410) is [2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-(cyclopropylmethyl)-methyl-oxo-λ6-sulfane;[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-ethyl-methyl-oxo-λ6-sulfane;[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-propan-2-yl-λ6-sulfane;1-[1-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-1-oxo-1,4-thiazinan-4-yl]ethanone;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;[2-(3-fluoro-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane.
What is the SMILES notation for [2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-(cyclopropylmethyl)-methyl-oxo-λ6-sulfane;[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-ethyl-methyl-oxo-λ6-sulfane;[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-propan-2-yl-λ6-sulfane;1-[1-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-1-oxo-1,4-thiazinan-4-yl]ethanone;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;[2-(3-fluoro-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane?
The canonical SMILES for [2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-(cyclopropylmethyl)-methyl-oxo-λ6-sulfane;[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-ethyl-methyl-oxo-λ6-sulfane;[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-propan-2-yl-λ6-sulfane;1-[1-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-1-oxo-1,4-thiazinan-4-yl]ethanone;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;[2-(3-fluoro-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane is CC(=O)N1CCS(=O)(=Nc2cc(N3CCOC[C@H]3C)nc(-c3ccnc4c3C=CC4)n2)CC1.CC(C)S(C)(=O)=Nc1cc(N2CCOC[C@H]2C)nc(-c2ccnc3c2C=CC3)n1.CCS(C)(=O)=Nc1cc(N2CCOC[C@H]2C)nc(-c2ccnc3c2C=CC3)n1.C[C@@H]1COCCN1c1cc(N=S(C)(=O)CC2CC2)nc(-c2ccnc3c2C=CC3)n1.C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-c2c(F)cnc3c2C=CC3)n1.Cc1cc2c(-c3nc(N=S(C)(C)=O)cc(N4CCOC[C@H]4C)n3)ccnc2[nH]1.
What is the InChIKey of [2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-(cyclopropylmethyl)-methyl-oxo-λ6-sulfane;[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-ethyl-methyl-oxo-λ6-sulfane;[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-propan-2-yl-λ6-sulfane;1-[1-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-1-oxo-1,4-thiazinan-4-yl]ethanone;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;[2-(3-fluoro-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane?
The InChIKey is KRSVKWYLMWWZOK-BHUATLINSA-N. The full InChI is InChI=1S/C23H28N6O3S.C22H27N5O2S.C21H27N5O2S.C20H25N5O2S.C19H22FN5O2S.C19H24N6O2S/c1-16-15-32-11-8-29(16)22-14-21(27-33(31)12-9-28(10-13-33)17(2)30)25-23(26-22)19-6-7-24-20-5-3-4-18(19)20;1-15-13-29-11-10-27(15)21-12-20(26-30(2,28)14-16-6-7-16)24-22(25-21)18-8-9-23-19-5-3-4-17(18)19;1-14(2)29(4,27)25-19-12-20(26-10-11-28-13-15(26)3)24-21(23-19)17-8-9-22-18-7-5-6-16(17)18;1-4-28(3,26)24-18-12-19(25-10-11-27-13-14(25)2)23-20(22-18)16-8-9-21-17-7-5-6-15(16)17;1-12-11-27-8-7-25(12)17-9-16(24-28(2,3)26)22-19(23-17)18-13-5-4-6-15(13)21-10-14(18)20;1-12-9-15-14(5-6-20-18(15)21-12)19-22-16(24-28(3,4)26)10-17(23-19)25-7-8-27-11-13(25)2/h3-4,6-7,14,16H,5,8-13,15H2,1-2H3;3-4,8-9,12,15-16H,5-7,10-11,13-14H2,1-2H3;5-6,8-9,12,14-15H,7,10-11,13H2,1-4H3;5-6,8-9,12,14H,4,7,10-11,13H2,1-3H3;4-5,9-10,12H,6-8,11H2,1-3H3;5-6,9-10,13H,7-8,11H2,1-4H3,(H,20,21)/t16-;15-,30?;15-,29?;14-,28?;12-;13-/m111111/s1.
What are the key properties of [2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-(cyclopropylmethyl)-methyl-oxo-λ6-sulfane;[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-ethyl-methyl-oxo-λ6-sulfane;[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-propan-2-yl-λ6-sulfane;1-[1-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-1-oxo-1,4-thiazinan-4-yl]ethanone;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;[2-(3-fluoro-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane?
[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-(cyclopropylmethyl)-methyl-oxo-λ6-sulfane;[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-ethyl-methyl-oxo-λ6-sulfane;[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-propan-2-yl-λ6-sulfane;1-[1-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-1-oxo-1,4-thiazinan-4-yl]ethanone;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;[2-(3-fluoro-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane has a molecular weight of 2511.20 g/mol, XLogP of 18.06, 22 rotatable bonds, 1 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-(cyclopropylmethyl)-methyl-oxo-λ6-sulfane;[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-ethyl-methyl-oxo-λ6-sulfane;[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-methyl-oxo-propan-2-yl-λ6-sulfane;1-[1-[2-(7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-1-oxo-1,4-thiazinan-4-yl]ethanone;dimethyl-[6-[(3R)-3-methylmorpholin-4-yl]-2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]imino-oxo-λ6-sulfane;[2-(3-fluoro-7H-cyclopenta[b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane is sourced from PubChem (CID 159221410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).