[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-cyclopropyl-methyl-oxo-λ6-sulfane;[2-(2-cyclopropylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;[2-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane

C100H124N30O10S5 — CID 159419615

IUPAC[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-cyclopropyl-methyl-oxo-λ6-sulfane;[2-(2-cyclopropylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;[2-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane
SMILESC[C@@H]1COCCN1c1cc(N=S(C)(=O)C2CC2)nc(-c2cncc3c2C=CC3)n1.C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-c2ccnc3[nH]c(C4CC4)cc23)n1.C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-n2c(C3CC3)nc3ccccc32)n1.Cc1nc2ccccc2n1-c1nc(N=S(C)(C)=O)cc(N2CCOC[C@H]2C)n1.Cc1nc2nccc(-c3nc(N=S(C)(C)=O)cc(N4CCOC[C@H]4C)n3)c2[nH]1
InChIInChI=1S/2C21H26N6O2S.C21H25N5O2S.C19H24N6O2S.C18H23N7O2S/c1-13-12-29-9-8-27(13)19-11-18(26-30(2,3)28)24-21(25-19)15-6-7-22-20-16(15)10-17(23-20)14-4-5-14;1-14-13-29-11-10-26(14)19-12-18(25-30(2,3)28)23-21(24-19)27-17-7-5-4-6-16(17)22-20(27)15-8-9-15;1-14-13-28-9-8-26(14)20-10-19(25-29(2,27)16-6-7-16)23-21(24-20)18-12-22-11-15-4-3-5-17(15)18;1-13-12-27-10-9-24(13)18-11-17(23-28(3,4)26)21-19(22-18)25-14(2)20-15-7-5-6-8-16(15)25;1-11-10-27-8-7-25(11)15-9-14(24-28(3,4)26)22-17(23-15)13-5-6-19-18-16(13)20-12(2)21-18/h6-7,10-11,13-14H,4-5,8-9,12H2,1-3H3,(H,22,23);4-7,12,14-15H,8-11,13H2,1-3H3;3,5,10-12,14,16H,4,6-9,13H2,1-2H3;5-8,11,13H,9-10,12H2,1-4H3;5-6,9,11H,7-8,10H2,1-4H3,(H,19,20,21)/t13-;14-;14-,29?;13-;11-/m11111/s1
InChIKeyLPPFPJWITMCCIW-YFNZLHFTSA-N
MW2066.63 g/mol
LogP15.00
Rot. Bonds18

About [2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-cyclopropyl-methyl-oxo-λ6-sulfane;[2-(2-cyclopropylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;[2-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane

[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-cyclopropyl-methyl-oxo-λ6-sulfane;[2-(2-cyclopropylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;[2-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane (PubChem CID 159419615) has the molecular formula C100H124N30O10S5 and a molecular weight of 2066.63 g/mol. Its IUPAC name is [2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-cyclopropyl-methyl-oxo-λ6-sulfane;[2-(2-cyclopropylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;[2-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane.

Molecular Properties

Compound Name[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-cyclopropyl-methyl-oxo-λ6-sulfane;[2-(2-cyclopropylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;[2-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane
PubChem CID159419615
Molecular FormulaC100H124N30O10S5
Molecular Weight2066.63 g/mol
Exact Mass2064.87
IUPAC Name[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-cyclopropyl-methyl-oxo-λ6-sulfane;[2-(2-cyclopropylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;[2-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane
SMILESC[C@@H]1COCCN1c1cc(N=S(C)(=O)C2CC2)nc(-c2cncc3c2C=CC3)n1.C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-c2ccnc3[nH]c(C4CC4)cc23)n1.C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-n2c(C3CC3)nc3ccccc32)n1.Cc1nc2ccccc2n1-c1nc(N=S(C)(C)=O)cc(N2CCOC[C@H]2C)n1.Cc1nc2nccc(-c3nc(N=S(C)(C)=O)cc(N4CCOC[C@H]4C)n3)c2[nH]1
InChIInChI=1S/2C21H26N6O2S.C21H25N5O2S.C19H24N6O2S.C18H23N7O2S/c1-13-12-29-9-8-27(13)19-11-18(26-30(2,3)28)24-21(25-19)15-6-7-22-20-16(15)10-17(23-20)14-4-5-14;1-14-13-29-11-10-26(14)19-12-18(25-30(2,3)28)23-21(24-19)27-17-7-5-4-6-16(17)22-20(27)15-8-9-15;1-14-13-28-9-8-26(14)20-10-19(25-29(2,27)16-6-7-16)23-21(24-20)18-12-22-11-15-4-3-5-17(15)18;1-13-12-27-10-9-24(13)18-11-17(23-28(3,4)26)21-19(22-18)25-14(2)20-15-7-5-6-8-16(15)25;1-11-10-27-8-7-25(11)15-9-14(24-28(3,4)26)22-17(23-15)13-5-6-19-18-16(13)20-12(2)21-18/h6-7,10-11,13-14H,4-5,8-9,12H2,1-3H3,(H,22,23);4-7,12,14-15H,8-11,13H2,1-3H3;3,5,10-12,14,16H,4,6-9,13H2,1-2H3;5-8,11,13H,9-10,12H2,1-4H3;5-6,9,11H,7-8,10H2,1-4H3,(H,19,20,21)/t13-;14-;14-,29?;13-;11-/m11111/s1
InChIKeyLPPFPJWITMCCIW-YFNZLHFTSA-N
XLogP15.00
TPSA457.18 Ų
H-Bond Donors2
H-Bond Acceptors38
Rotatable Bonds18
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002066.63
LogP ≤ 515.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1038

Analyze [2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-cyclopropyl-methyl-oxo-λ6-sulfane;[2-(2-cyclopropylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;[2-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane with MolForge

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Launch Full Analysis

Related Compounds

[2-[1-[4-[[dimethyl(oxo)-lambda6-sulfanylidene]amino]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-7-fluoro-2-methylbenzimidazol-5-yl]cyclopropyl]-methyl-[2-[2-methyl-5-[2-[S-methyl-N-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]sulfonimidoyl]cyclopropyl]benzimidazol-1-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-lambda6-sulfane
CID 137417983
2-[4-[6-[(3,3-difluoro-1-oxothietan-1-ylidene)amino]-4-[(3R)-3-methylmorpholin-4-yl]pyridin-2-yl]pyrrolo[2,3-b]pyridin-1-yl]-3-fluoro-1-[4-[(3R)-3-methylmorpholin-4-yl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyridin-2-yl]iminothietane 1-oxide
CID 153344409
imino-methyl-[1-[6-(3-methylmorpholin-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]cyclopropyl]-oxo-lambda6-sulfane;4-N-(2-phenylcyclopropyl)cyclohexane-1,4-diamine
CID 168432490
imino-methyl-[1-[6-(3-methylmorpholin-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]cyclopropyl]-oxo-lambda6-sulfane;N-[2-(1H-indol-3-yl)ethyl]-2-(5-methyl-3-pyridinyl)-9-propan-2-ylpurin-6-amine
CID 168458935
2-(5-fluoro-2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;imino-methyl-[1-[6-(3-methylmorpholin-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]cyclopropyl]-oxo-lambda6-sulfane
CID 172869529
4-[4-[[2-(1H-indol-3-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl]piperazin-1-yl]thiane 1,1-dioxide
CID 49818750
4-[2-(1H-indol-3-yl)-9-methyl-8-[[4-(1-sulfinylthian-4-yl)piperazin-1-yl]methyl]purin-6-yl]morpholine
CID 67279880
(3S)-4-[8-[3-[1-[2,6-dimorpholin-4-yl-8-(1H-pyrrolo[3,2-b]pyridin-6-yl)purin-9-yl]ethyl]phenyl]-2-morpholin-4-yl-7H-purin-6-yl]-3-methylmorpholine
CID 68297114
(3S)-4-[8-(3-ethylphenyl)-2-morpholin-4-yl-7H-purin-6-yl]-3-methylmorpholine;4-[2-morpholin-4-yl-8-(1H-pyrrolo[3,2-b]pyridin-6-yl)-7H-purin-6-yl]morpholine
CID 68297115
5-(9-Benzyl-2-morpholin-4-ylpurin-6-yl)pyrazin-2-amine;5-[9-(1-cyclopropylethyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(cyclopropylmethyl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-[(2,6-difluorophenyl)methyl]-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine;5-[9-(1-methoxypropan-2-yl)-2-morpholin-4-ylpurin-6-yl]pyrazin-2-amine
CID 123168340
2-[4-(5-tert-butyl-1-methylindol-3-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine;2-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 123173376
4-[4-[4-[4-[4-[6-(2-methoxypyrimidin-5-yl)-4-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyrrolo[2,3-d]pyrimidin-7-yl]phenyl]-5-methyl-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzenesulfonamide
CID 130455727

Frequently Asked Questions

What is the IUPAC name of [2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-cyclopropyl-methyl-oxo-λ6-sulfane;[2-(2-cyclopropylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;[2-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane?
The IUPAC name of [2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-cyclopropyl-methyl-oxo-λ6-sulfane;[2-(2-cyclopropylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;[2-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane (CID 159419615) is [2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-cyclopropyl-methyl-oxo-λ6-sulfane;[2-(2-cyclopropylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;[2-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane.
What is the SMILES notation for [2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-cyclopropyl-methyl-oxo-λ6-sulfane;[2-(2-cyclopropylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;[2-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane?
The canonical SMILES for [2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-cyclopropyl-methyl-oxo-λ6-sulfane;[2-(2-cyclopropylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;[2-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane is C[C@@H]1COCCN1c1cc(N=S(C)(=O)C2CC2)nc(-c2cncc3c2C=CC3)n1.C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-c2ccnc3[nH]c(C4CC4)cc23)n1.C[C@@H]1COCCN1c1cc(N=S(C)(C)=O)nc(-n2c(C3CC3)nc3ccccc32)n1.Cc1nc2ccccc2n1-c1nc(N=S(C)(C)=O)cc(N2CCOC[C@H]2C)n1.Cc1nc2nccc(-c3nc(N=S(C)(C)=O)cc(N4CCOC[C@H]4C)n3)c2[nH]1.
What is the InChIKey of [2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-cyclopropyl-methyl-oxo-λ6-sulfane;[2-(2-cyclopropylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;[2-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane?
The InChIKey is LPPFPJWITMCCIW-YFNZLHFTSA-N. The full InChI is InChI=1S/2C21H26N6O2S.C21H25N5O2S.C19H24N6O2S.C18H23N7O2S/c1-13-12-29-9-8-27(13)19-11-18(26-30(2,3)28)24-21(25-19)15-6-7-22-20-16(15)10-17(23-20)14-4-5-14;1-14-13-29-11-10-26(14)19-12-18(25-30(2,3)28)23-21(24-19)27-17-7-5-4-6-16(17)22-20(27)15-8-9-15;1-14-13-28-9-8-26(14)20-10-19(25-29(2,27)16-6-7-16)23-21(24-20)18-12-22-11-15-4-3-5-17(15)18;1-13-12-27-10-9-24(13)18-11-17(23-28(3,4)26)21-19(22-18)25-14(2)20-15-7-5-6-8-16(15)25;1-11-10-27-8-7-25(11)15-9-14(24-28(3,4)26)22-17(23-15)13-5-6-19-18-16(13)20-12(2)21-18/h6-7,10-11,13-14H,4-5,8-9,12H2,1-3H3,(H,22,23);4-7,12,14-15H,8-11,13H2,1-3H3;3,5,10-12,14,16H,4,6-9,13H2,1-2H3;5-8,11,13H,9-10,12H2,1-4H3;5-6,9,11H,7-8,10H2,1-4H3,(H,19,20,21)/t13-;14-;14-,29?;13-;11-/m11111/s1.
What are the key properties of [2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-cyclopropyl-methyl-oxo-λ6-sulfane;[2-(2-cyclopropylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;[2-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane?
[2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-cyclopropyl-methyl-oxo-λ6-sulfane;[2-(2-cyclopropylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;[2-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane has a molecular weight of 2066.63 g/mol, XLogP of 15.00, 18 rotatable bonds, 2 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7H-cyclopenta[c]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-cyclopropyl-methyl-oxo-λ6-sulfane;[2-(2-cyclopropylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;[2-(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-dimethyl-oxo-λ6-sulfane;dimethyl-[2-(2-methylbenzimidazol-1-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane;dimethyl-[2-(2-methyl-1H-imidazo[4,5-b]pyridin-7-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]imino-oxo-λ6-sulfane is sourced from PubChem (CID 159419615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).