2,7-diazaspiro[4.4]nonan-2-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;2,8-diazaspiro[5.5]undecan-2-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;6,8-dihydro-5H-1,7-naphthyridin-7-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;5-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carbonyl]-3,4,6,7-tetrahydro-2H-pyrrolo[3,4-c]pyridin-1-one

C103H120N28O5S8 — CID 159132407

IUPAC2,7-diazaspiro[4.4]nonan-2-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;2,8-diazaspiro[5.5]undecan-2-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;6,8-dihydro-5H-1,7-naphthyridin-7-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;5-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carbonyl]-3,4,6,7-tetrahydro-2H-pyrrolo[3,4-c]pyridin-1-one
SMILESCSc1cnc(N[C@H]2CC[C@H](Nc3nc4ccc(C(=O)N5CCC6(CCNC6)C5)cc4s3)C2)nc1.CSc1cnc(N[C@H]2CC[C@H](Nc3nc4ccc(C(=O)N5CCC6=C(CNC6=O)C5)cc4s3)C2)nc1.CSc1cnc(N[C@H]2CC[C@H](Nc3nc4ccc(C(=O)N5CCCC6(CCCNC6)C5)cc4s3)C2)nc1.CSc1cnc(N[C@H]2CC[C@H](Nc3nc4ccc(C(=O)N5CCc6cccnc6C5)cc4s3)C2)nc1
InChIInChI=1S/C27H35N7OS2.C26H27N7OS2.C25H27N7O2S2.C25H31N7OS2/c1-36-21-14-29-25(30-15-21)31-19-5-6-20(13-19)32-26-33-22-7-4-18(12-23(22)37-26)24(35)34-11-3-9-27(17-34)8-2-10-28-16-27;1-35-20-13-28-25(29-14-20)30-18-5-6-19(12-18)31-26-32-21-7-4-17(11-23(21)36-26)24(34)33-10-8-16-3-2-9-27-22(16)15-33;1-35-18-11-27-24(28-12-18)29-16-3-4-17(9-16)30-25-31-20-5-2-14(8-21(20)36-25)23(34)32-7-6-19-15(13-32)10-26-22(19)33;1-34-19-12-27-23(28-13-19)29-17-3-4-18(11-17)30-24-31-20-5-2-16(10-21(20)35-24)22(33)32-9-7-25(15-32)6-8-26-14-25/h4,7,12,14-15,19-20,28H,2-3,5-6,8-11,13,16-17H2,1H3,(H,32,33)(H,29,30,31);2-4,7,9,11,13-14,18-19H,5-6,8,10,12,15H2,1H3,(H,31,32)(H,28,29,30);2,5,8,11-12,16-17H,3-4,6-7,9-10,13H2,1H3,(H,26,33)(H,30,31)(H,27,28,29);2,5,10,12-13,17-18,26H,3-4,6-9,11,14-15H2,1H3,(H,30,31)(H,27,28,29)/t19-,20-,27?;18-,19-;16-,17-;17-,18-,25?/m0000/s1
InChIKeyKHBHRPOQROVJLY-IUUGGUEASA-N
MW2086.82 g/mol
LogP17.31
Rot. Bonds24

About 2,7-diazaspiro[4.4]nonan-2-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;2,8-diazaspiro[5.5]undecan-2-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;6,8-dihydro-5H-1,7-naphthyridin-7-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;5-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carbonyl]-3,4,6,7-tetrahydro-2H-pyrrolo[3,4-c]pyridin-1-one

2,7-diazaspiro[4.4]nonan-2-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;2,8-diazaspiro[5.5]undecan-2-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;6,8-dihydro-5H-1,7-naphthyridin-7-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;5-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carbonyl]-3,4,6,7-tetrahydro-2H-pyrrolo[3,4-c]pyridin-1-one (PubChem CID 159132407) has the molecular formula C103H120N28O5S8 and a molecular weight of 2086.82 g/mol. Its IUPAC name is 2,7-diazaspiro[4.4]nonan-2-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;2,8-diazaspiro[5.5]undecan-2-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;6,8-dihydro-5H-1,7-naphthyridin-7-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;5-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carbonyl]-3,4,6,7-tetrahydro-2H-pyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name2,7-diazaspiro[4.4]nonan-2-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;2,8-diazaspiro[5.5]undecan-2-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;6,8-dihydro-5H-1,7-naphthyridin-7-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;5-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carbonyl]-3,4,6,7-tetrahydro-2H-pyrrolo[3,4-c]pyridin-1-one
PubChem CID159132407
Molecular FormulaC103H120N28O5S8
Molecular Weight2086.82 g/mol
Exact Mass2084.78
IUPAC Name2,7-diazaspiro[4.4]nonan-2-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;2,8-diazaspiro[5.5]undecan-2-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;6,8-dihydro-5H-1,7-naphthyridin-7-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;5-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carbonyl]-3,4,6,7-tetrahydro-2H-pyrrolo[3,4-c]pyridin-1-one
SMILESCSc1cnc(N[C@H]2CC[C@H](Nc3nc4ccc(C(=O)N5CCC6(CCNC6)C5)cc4s3)C2)nc1.CSc1cnc(N[C@H]2CC[C@H](Nc3nc4ccc(C(=O)N5CCC6=C(CNC6=O)C5)cc4s3)C2)nc1.CSc1cnc(N[C@H]2CC[C@H](Nc3nc4ccc(C(=O)N5CCCC6(CCCNC6)C5)cc4s3)C2)nc1.CSc1cnc(N[C@H]2CC[C@H](Nc3nc4ccc(C(=O)N5CCc6cccnc6C5)cc4s3)C2)nc1
InChIInChI=1S/C27H35N7OS2.C26H27N7OS2.C25H27N7O2S2.C25H31N7OS2/c1-36-21-14-29-25(30-15-21)31-19-5-6-20(13-19)32-26-33-22-7-4-18(12-23(22)37-26)24(35)34-11-3-9-27(17-34)8-2-10-28-16-27;1-35-20-13-28-25(29-14-20)30-18-5-6-19(12-18)31-26-32-21-7-4-17(11-23(21)36-26)24(34)33-10-8-16-3-2-9-27-22(16)15-33;1-35-18-11-27-24(28-12-18)29-16-3-4-17(9-16)30-25-31-20-5-2-14(8-21(20)36-25)23(34)32-7-6-19-15(13-32)10-26-22(19)33;1-34-19-12-27-23(28-13-19)29-17-3-4-18(11-17)30-24-31-20-5-2-16(10-21(20)35-24)22(33)32-9-7-25(15-32)6-8-26-14-25/h4,7,12,14-15,19-20,28H,2-3,5-6,8-11,13,16-17H2,1H3,(H,32,33)(H,29,30,31);2-4,7,9,11,13-14,18-19H,5-6,8,10,12,15H2,1H3,(H,31,32)(H,28,29,30);2,5,8,11-12,16-17H,3-4,6-7,9-10,13H2,1H3,(H,26,33)(H,30,31)(H,27,28,29);2,5,10,12-13,17-18,26H,3-4,6-9,11,14-15H2,1H3,(H,30,31)(H,27,28,29)/t19-,20-,27?;18-,19-;16-,17-;17-,18-,25?/m0000/s1
InChIKeyKHBHRPOQROVJLY-IUUGGUEASA-N
XLogP17.31
TPSA398.21 Ų
H-Bond Donors11
H-Bond Acceptors36
Rotatable Bonds24
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002086.82
LogP ≤ 517.31
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1036

Analyze 2,7-diazaspiro[4.4]nonan-2-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;2,8-diazaspiro[5.5]undecan-2-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;6,8-dihydro-5H-1,7-naphthyridin-7-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;5-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carbonyl]-3,4,6,7-tetrahydro-2H-pyrrolo[3,4-c]pyridin-1-one with MolForge

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Launch Full Analysis

Related Compounds

US11248001, Example 358
CID 154653480
US11603523, Example 354
CID 154653490
US11248001, Example 337
CID 154653562
US11248001, Example 359
CID 154653625
US11248001, Example 324
CID 154653737
US11248001, Example 361
CID 154653845
US11603523, Example 355
CID 154653849
7-azaspiro[3.5]nonan-7-yl-[2-[[(2S)-3-[[5-(difluoromethylsulfanyl)pyrimidin-2-yl]amino]-2-methylpropyl]amino]-1,3-benzothiazol-6-yl]methanone;2-[2-[[(2S)-3-[[5-(difluoromethylsulfanyl)pyrimidin-2-yl]amino]-2-methylpropyl]amino]-1,3-benzothiazole-6-carbonyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one;[2-[[(2S)-3-[[5-(difluoromethylsulfanyl)pyrimidin-2-yl]amino]-2-methylpropyl]amino]-1,3-benzothiazol-6-yl]-[2-(2,2-difluoropropyl)-2,7-diazaspiro[3.5]nonan-7-yl]methanone;[2-[[(2S)-3-[[5-(difluoromethylsulfanyl)pyrimidin-2-yl]amino]-2-methylpropyl]amino]-1,3-benzothiazol-6-yl]-(2-oxa-7-azaspiro[3.5]nonan-7-yl)methanone;2-[[(2S)-3-[[5-(difluoromethylsulfanyl)pyrimidin-2-yl]amino]-2-methylpropyl]amino]-N,N-dimethyl-1,3-benzothiazole-6-carboxamide;sulfane
CID 161240235
N-methyl-4-[[(5S,8S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5S,8R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5R,8S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5R,8R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide
CID 165065207
N-[2-[2-[2-[[(2S)-3-[[6-(dimethylcarbamoyl)-1,3-benzothiazol-2-yl]amino]-2-methylpropyl]amino]pyrimidin-5-yl]sulfanylethyl-methylamino]ethyl]-2-[[(2S)-2-methyl-3-[(5-methylsulfanylpyrimidin-2-yl)amino]propyl]amino]-1,3-benzothiazole-6-carboxamide
CID 154653438
6,8-dihydro-5H-1,7-naphthyridin-7-yl-[2-[[(1S,3S)-3-[[5-[[2-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carbonyl]-2,7-diazaspiro[4.4]nonan-3-yl]methylsulfanyl]pyrimidin-2-yl]amino]cyclopentyl]methylamino]-1,3-benzothiazol-6-yl]methanone
CID 154654001
6,8-dihydro-5H-1,7-naphthyridin-7-yl-[2-[[(1S,3S)-3-[[5-[[2-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carbonyl]-2,7-diazaspiro[4.4]nonan-3-yl]methylsulfanyl]pyrimidin-2-yl]amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone
CID 155005875

Frequently Asked Questions

What is the IUPAC name of 2,7-diazaspiro[4.4]nonan-2-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;2,8-diazaspiro[5.5]undecan-2-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;6,8-dihydro-5H-1,7-naphthyridin-7-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;5-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carbonyl]-3,4,6,7-tetrahydro-2H-pyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 2,7-diazaspiro[4.4]nonan-2-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;2,8-diazaspiro[5.5]undecan-2-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;6,8-dihydro-5H-1,7-naphthyridin-7-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;5-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carbonyl]-3,4,6,7-tetrahydro-2H-pyrrolo[3,4-c]pyridin-1-one (CID 159132407) is 2,7-diazaspiro[4.4]nonan-2-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;2,8-diazaspiro[5.5]undecan-2-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;6,8-dihydro-5H-1,7-naphthyridin-7-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;5-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carbonyl]-3,4,6,7-tetrahydro-2H-pyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 2,7-diazaspiro[4.4]nonan-2-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;2,8-diazaspiro[5.5]undecan-2-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;6,8-dihydro-5H-1,7-naphthyridin-7-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;5-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carbonyl]-3,4,6,7-tetrahydro-2H-pyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 2,7-diazaspiro[4.4]nonan-2-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;2,8-diazaspiro[5.5]undecan-2-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;6,8-dihydro-5H-1,7-naphthyridin-7-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;5-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carbonyl]-3,4,6,7-tetrahydro-2H-pyrrolo[3,4-c]pyridin-1-one is CSc1cnc(N[C@H]2CC[C@H](Nc3nc4ccc(C(=O)N5CCC6(CCNC6)C5)cc4s3)C2)nc1.CSc1cnc(N[C@H]2CC[C@H](Nc3nc4ccc(C(=O)N5CCC6=C(CNC6=O)C5)cc4s3)C2)nc1.CSc1cnc(N[C@H]2CC[C@H](Nc3nc4ccc(C(=O)N5CCCC6(CCCNC6)C5)cc4s3)C2)nc1.CSc1cnc(N[C@H]2CC[C@H](Nc3nc4ccc(C(=O)N5CCc6cccnc6C5)cc4s3)C2)nc1.
What is the InChIKey of 2,7-diazaspiro[4.4]nonan-2-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;2,8-diazaspiro[5.5]undecan-2-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;6,8-dihydro-5H-1,7-naphthyridin-7-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;5-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carbonyl]-3,4,6,7-tetrahydro-2H-pyrrolo[3,4-c]pyridin-1-one?
The InChIKey is KHBHRPOQROVJLY-IUUGGUEASA-N. The full InChI is InChI=1S/C27H35N7OS2.C26H27N7OS2.C25H27N7O2S2.C25H31N7OS2/c1-36-21-14-29-25(30-15-21)31-19-5-6-20(13-19)32-26-33-22-7-4-18(12-23(22)37-26)24(35)34-11-3-9-27(17-34)8-2-10-28-16-27;1-35-20-13-28-25(29-14-20)30-18-5-6-19(12-18)31-26-32-21-7-4-17(11-23(21)36-26)24(34)33-10-8-16-3-2-9-27-22(16)15-33;1-35-18-11-27-24(28-12-18)29-16-3-4-17(9-16)30-25-31-20-5-2-14(8-21(20)36-25)23(34)32-7-6-19-15(13-32)10-26-22(19)33;1-34-19-12-27-23(28-13-19)29-17-3-4-18(11-17)30-24-31-20-5-2-16(10-21(20)35-24)22(33)32-9-7-25(15-32)6-8-26-14-25/h4,7,12,14-15,19-20,28H,2-3,5-6,8-11,13,16-17H2,1H3,(H,32,33)(H,29,30,31);2-4,7,9,11,13-14,18-19H,5-6,8,10,12,15H2,1H3,(H,31,32)(H,28,29,30);2,5,8,11-12,16-17H,3-4,6-7,9-10,13H2,1H3,(H,26,33)(H,30,31)(H,27,28,29);2,5,10,12-13,17-18,26H,3-4,6-9,11,14-15H2,1H3,(H,30,31)(H,27,28,29)/t19-,20-,27?;18-,19-;16-,17-;17-,18-,25?/m0000/s1.
What are the key properties of 2,7-diazaspiro[4.4]nonan-2-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;2,8-diazaspiro[5.5]undecan-2-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;6,8-dihydro-5H-1,7-naphthyridin-7-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;5-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carbonyl]-3,4,6,7-tetrahydro-2H-pyrrolo[3,4-c]pyridin-1-one?
2,7-diazaspiro[4.4]nonan-2-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;2,8-diazaspiro[5.5]undecan-2-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;6,8-dihydro-5H-1,7-naphthyridin-7-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;5-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carbonyl]-3,4,6,7-tetrahydro-2H-pyrrolo[3,4-c]pyridin-1-one has a molecular weight of 2086.82 g/mol, XLogP of 17.31, 24 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diazaspiro[4.4]nonan-2-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;2,8-diazaspiro[5.5]undecan-2-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;6,8-dihydro-5H-1,7-naphthyridin-7-yl-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazol-6-yl]methanone;5-[2-[[(1S,3S)-3-[(5-methylsulfanylpyrimidin-2-yl)amino]cyclopentyl]amino]-1,3-benzothiazole-6-carbonyl]-3,4,6,7-tetrahydro-2H-pyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 159132407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).