6-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-7-[[(1S)-2-methoxy-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-2-ethoxy-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;sulfane

C126H138N42O10S7 — CID 165011881

IUPAC6-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-7-[[(1S)-2-methoxy-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-2-ethoxy-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;sulfane
SMILESCC(C)[C@H](Nc1c(-c2nc3cc(N4CCN(C)CC4)ncc3[nH]2)c(=O)[nH]c2ccsc12)c1ncccn1.CCOC[C@@H](Nc1c(-c2nc3cc(N4C[C@@H](C)O[C@@H](C)C4)ncc3[nH]2)c(=O)[nH]c2ccsc12)c1ncccn1.COC[C@@H](Nc1c(-c2nc3nc(N4C[C@@H](C)O[C@@H](C)C4)ccc3[nH]2)c(=O)[nH]c2ccsc12)c1ncccn1.C[C@H](Nc1c(-c2nc3cc(N4CCN(C)CC4)ncc3[nH]2)c(=O)[nH]c2ccsc12)c1ncccn1.C[C@H](Nc1c(-c2nc3cc(N4CCOCC4)ncc3[nH]2)c(=O)[nH]c2ccsc12)c1ncccn1.S.S
InChIInChI=1S/C27H30N8O3S.C26H29N9OS.C26H28N8O3S.C24H25N9OS.C23H22N8O2S.2H2S/c1-4-37-14-20(25-28-7-5-8-29-25)31-23-22(27(36)34-17-6-9-39-24(17)23)26-32-18-10-21(30-11-19(18)33-26)35-12-15(2)38-16(3)13-35;1-15(2)21(25-27-6-4-7-28-25)33-22-20(26(36)32-16-5-12-37-23(16)22)24-30-17-13-19(29-14-18(17)31-24)35-10-8-34(3)9-11-35;1-14-11-34(12-15(2)37-14)19-6-5-17-24(32-19)33-25(30-17)20-21(22-16(7-10-38-22)31-26(20)35)29-18(13-36-3)23-27-8-4-9-28-23;1-14(22-25-5-3-6-26-22)28-20-19(24(34)31-15-4-11-35-21(15)20)23-29-16-12-18(27-13-17(16)30-23)33-9-7-32(2)8-10-33;1-13(21-24-4-2-5-25-21)27-19-18(23(32)30-14-3-10-34-20(14)19)22-28-15-11-17(26-12-16(15)29-22)31-6-8-33-9-7-31;;/h5-11,15-16,20H,4,12-14H2,1-3H3,(H,32,33)(H2,31,34,36);4-7,12-15,21H,8-11H2,1-3H3,(H,30,31)(H2,32,33,36);4-10,14-15,18H,11-13H2,1-3H3,(H2,29,31,35)(H,30,32,33);3-6,11-14H,7-10H2,1-2H3,(H,29,30)(H2,28,31,34);2-5,10-13H,6-9H2,1H3,(H,28,29)(H2,27,30,32);2*1H2/t15-,16+,20-;21-;14-,15+,18-;14-;13-;;/m10100../s1
InChIKeyJVFMPKGAVFXBMH-BHNVMQFJSA-N
MW2625.24 g/mol
LogP18.53
Rot. Bonds31

About 6-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-7-[[(1S)-2-methoxy-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-2-ethoxy-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;sulfane

6-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-7-[[(1S)-2-methoxy-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-2-ethoxy-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;sulfane (PubChem CID 165011881) has the molecular formula C126H138N42O10S7 and a molecular weight of 2625.24 g/mol. Its IUPAC name is 6-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-7-[[(1S)-2-methoxy-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-2-ethoxy-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;sulfane.

Molecular Properties

Compound Name6-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-7-[[(1S)-2-methoxy-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-2-ethoxy-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;sulfane
PubChem CID165011881
Molecular FormulaC126H138N42O10S7
Molecular Weight2625.24 g/mol
Exact Mass2622.96
IUPAC Name6-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-7-[[(1S)-2-methoxy-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-2-ethoxy-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;sulfane
SMILESCC(C)[C@H](Nc1c(-c2nc3cc(N4CCN(C)CC4)ncc3[nH]2)c(=O)[nH]c2ccsc12)c1ncccn1.CCOC[C@@H](Nc1c(-c2nc3cc(N4C[C@@H](C)O[C@@H](C)C4)ncc3[nH]2)c(=O)[nH]c2ccsc12)c1ncccn1.COC[C@@H](Nc1c(-c2nc3nc(N4C[C@@H](C)O[C@@H](C)C4)ccc3[nH]2)c(=O)[nH]c2ccsc12)c1ncccn1.C[C@H](Nc1c(-c2nc3cc(N4CCN(C)CC4)ncc3[nH]2)c(=O)[nH]c2ccsc12)c1ncccn1.C[C@H](Nc1c(-c2nc3cc(N4CCOCC4)ncc3[nH]2)c(=O)[nH]c2ccsc12)c1ncccn1.S.S
InChIInChI=1S/C27H30N8O3S.C26H29N9OS.C26H28N8O3S.C24H25N9OS.C23H22N8O2S.2H2S/c1-4-37-14-20(25-28-7-5-8-29-25)31-23-22(27(36)34-17-6-9-39-24(17)23)26-32-18-10-21(30-11-19(18)33-26)35-12-15(2)38-16(3)13-35;1-15(2)21(25-27-6-4-7-28-25)33-22-20(26(36)32-16-5-12-37-23(16)22)24-30-17-13-19(29-14-18(17)31-24)35-10-8-34(3)9-11-35;1-14-11-34(12-15(2)37-14)19-6-5-17-24(32-19)33-25(30-17)20-21(22-16(7-10-38-22)31-26(20)35)29-18(13-36-3)23-27-8-4-9-28-23;1-14(22-25-5-3-6-26-22)28-20-19(24(34)31-15-4-11-35-21(15)20)23-29-16-12-18(27-13-17(16)30-23)33-9-7-32(2)8-10-33;1-13(21-24-4-2-5-25-21)27-19-18(23(32)30-14-3-10-34-20(14)19)22-28-15-11-17(26-12-16(15)29-22)31-6-8-33-9-7-31;;/h5-11,15-16,20H,4,12-14H2,1-3H3,(H,32,33)(H2,31,34,36);4-7,12-15,21H,8-11H2,1-3H3,(H,30,31)(H2,32,33,36);4-10,14-15,18H,11-13H2,1-3H3,(H2,29,31,35)(H,30,32,33);3-6,11-14H,7-10H2,1-2H3,(H,29,30)(H2,28,31,34);2-5,10-13H,6-9H2,1H3,(H,28,29)(H2,27,30,32);2*1H2/t15-,16+,20-;21-;14-,15+,18-;14-;13-;;/m10100../s1
InChIKeyJVFMPKGAVFXBMH-BHNVMQFJSA-N
XLogP18.53
TPSA630.03 Ų
H-Bond Donors15
H-Bond Acceptors47
Rotatable Bonds31
Heavy Atoms185
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002625.24
LogP ≤ 518.53
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1047

Analyze 6-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-7-[[(1S)-2-methoxy-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-2-ethoxy-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-7-[[(1S)-2-methoxy-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-2-ethoxy-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;sulfane?
The IUPAC name of 6-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-7-[[(1S)-2-methoxy-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-2-ethoxy-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;sulfane (CID 165011881) is 6-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-7-[[(1S)-2-methoxy-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-2-ethoxy-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;sulfane.
What is the SMILES notation for 6-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-7-[[(1S)-2-methoxy-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-2-ethoxy-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;sulfane?
The canonical SMILES for 6-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-7-[[(1S)-2-methoxy-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-2-ethoxy-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;sulfane is CC(C)[C@H](Nc1c(-c2nc3cc(N4CCN(C)CC4)ncc3[nH]2)c(=O)[nH]c2ccsc12)c1ncccn1.CCOC[C@@H](Nc1c(-c2nc3cc(N4C[C@@H](C)O[C@@H](C)C4)ncc3[nH]2)c(=O)[nH]c2ccsc12)c1ncccn1.COC[C@@H](Nc1c(-c2nc3nc(N4C[C@@H](C)O[C@@H](C)C4)ccc3[nH]2)c(=O)[nH]c2ccsc12)c1ncccn1.C[C@H](Nc1c(-c2nc3cc(N4CCN(C)CC4)ncc3[nH]2)c(=O)[nH]c2ccsc12)c1ncccn1.C[C@H](Nc1c(-c2nc3cc(N4CCOCC4)ncc3[nH]2)c(=O)[nH]c2ccsc12)c1ncccn1.S.S.
What is the InChIKey of 6-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-7-[[(1S)-2-methoxy-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-2-ethoxy-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;sulfane?
The InChIKey is JVFMPKGAVFXBMH-BHNVMQFJSA-N. The full InChI is InChI=1S/C27H30N8O3S.C26H29N9OS.C26H28N8O3S.C24H25N9OS.C23H22N8O2S.2H2S/c1-4-37-14-20(25-28-7-5-8-29-25)31-23-22(27(36)34-17-6-9-39-24(17)23)26-32-18-10-21(30-11-19(18)33-26)35-12-15(2)38-16(3)13-35;1-15(2)21(25-27-6-4-7-28-25)33-22-20(26(36)32-16-5-12-37-23(16)22)24-30-17-13-19(29-14-18(17)31-24)35-10-8-34(3)9-11-35;1-14-11-34(12-15(2)37-14)19-6-5-17-24(32-19)33-25(30-17)20-21(22-16(7-10-38-22)31-26(20)35)29-18(13-36-3)23-27-8-4-9-28-23;1-14(22-25-5-3-6-26-22)28-20-19(24(34)31-15-4-11-35-21(15)20)23-29-16-12-18(27-13-17(16)30-23)33-9-7-32(2)8-10-33;1-13(21-24-4-2-5-25-21)27-19-18(23(32)30-14-3-10-34-20(14)19)22-28-15-11-17(26-12-16(15)29-22)31-6-8-33-9-7-31;;/h5-11,15-16,20H,4,12-14H2,1-3H3,(H,32,33)(H2,31,34,36);4-7,12-15,21H,8-11H2,1-3H3,(H,30,31)(H2,32,33,36);4-10,14-15,18H,11-13H2,1-3H3,(H2,29,31,35)(H,30,32,33);3-6,11-14H,7-10H2,1-2H3,(H,29,30)(H2,28,31,34);2-5,10-13H,6-9H2,1H3,(H,28,29)(H2,27,30,32);2*1H2/t15-,16+,20-;21-;14-,15+,18-;14-;13-;;/m10100../s1.
What are the key properties of 6-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-7-[[(1S)-2-methoxy-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-2-ethoxy-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;sulfane?
6-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-7-[[(1S)-2-methoxy-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-2-ethoxy-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;sulfane has a molecular weight of 2625.24 g/mol, XLogP of 18.53, 31 rotatable bonds, 15 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-imidazo[4,5-b]pyridin-2-yl]-7-[[(1S)-2-methoxy-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-2-ethoxy-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-2-methyl-1-pyrimidin-2-ylpropyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-[6-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;6-(6-morpholin-4-yl-3H-imidazo[4,5-c]pyridin-2-yl)-7-[[(1S)-1-pyrimidin-2-ylethyl]amino]-4H-thieno[3,2-b]pyridin-5-one;sulfane is sourced from PubChem (CID 165011881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).