1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;(2S)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;(2R)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[1-(2H-triazol-4-yl)propan-2-yloxy]ethanone;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[(2R)-1-(2H-triazol-4-yl)propan-2-yl]oxyethanone;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[(2S)-1-(2H-triazol-4-yl)propan-2-yl]oxyethanone

C132H150N42O12 — CID 163781008

IUPAC1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;(2S)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;(2R)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[1-(2H-triazol-4-yl)propan-2-yloxy]ethanone;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[(2R)-1-(2H-triazol-4-yl)propan-2-yl]oxyethanone;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[(2S)-1-(2H-triazol-4-yl)propan-2-yl]oxyethanone
SMILESCC(Cc1cn[nH]n1)OCC(=O)N1Cc2cnc(NC3Cc4ccccc4C3)nc2C1.CC(OCCc1cn[nH]n1)C(=O)N1Cc2cnc(NC3Cc4ccccc4C3)nc2C1.C[C@@H](Cc1cn[nH]n1)OCC(=O)N1Cc2cnc(NC3Cc4ccccc4C3)nc2C1.C[C@@H](OCCc1cn[nH]n1)C(=O)N1Cc2cnc(NC3Cc4ccccc4C3)nc2C1.C[C@H](Cc1cn[nH]n1)OCC(=O)N1Cc2cnc(NC3Cc4ccccc4C3)nc2C1.C[C@H](OCCc1cn[nH]n1)C(=O)N1Cc2cnc(NC3Cc4ccccc4C3)nc2C1
InChIInChI=1S/6C22H25N7O2/c3*1-14(6-19-10-24-28-27-19)31-13-21(30)29-11-17-9-23-22(26-20(17)12-29)25-18-7-15-4-2-3-5-16(15)8-18;3*1-14(31-7-6-18-11-24-28-27-18)21(30)29-12-17-10-23-22(26-20(17)13-29)25-19-8-15-4-2-3-5-16(15)9-19/h3*2-5,9-10,14,18H,6-8,11-13H2,1H3,(H,23,25,26)(H,24,27,28);3*2-5,10-11,14,19H,6-9,12-13H2,1H3,(H,23,25,26)(H,24,27,28)/t2*14-;;2*14-;/m10.10./s1
InChIKeyMOOUYLOHLONUJN-FKQONAKQSA-N
MW2516.93 g/mol
LogP9.98
Rot. Bonds42

About 1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;(2S)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;(2R)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[1-(2H-triazol-4-yl)propan-2-yloxy]ethanone;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[(2R)-1-(2H-triazol-4-yl)propan-2-yl]oxyethanone;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[(2S)-1-(2H-triazol-4-yl)propan-2-yl]oxyethanone

1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;(2S)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;(2R)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[1-(2H-triazol-4-yl)propan-2-yloxy]ethanone;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[(2R)-1-(2H-triazol-4-yl)propan-2-yl]oxyethanone;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[(2S)-1-(2H-triazol-4-yl)propan-2-yl]oxyethanone (PubChem CID 163781008) has the molecular formula C132H150N42O12 and a molecular weight of 2516.93 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;(2S)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;(2R)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[1-(2H-triazol-4-yl)propan-2-yloxy]ethanone;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[(2R)-1-(2H-triazol-4-yl)propan-2-yl]oxyethanone;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[(2S)-1-(2H-triazol-4-yl)propan-2-yl]oxyethanone.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;(2S)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;(2R)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[1-(2H-triazol-4-yl)propan-2-yloxy]ethanone;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[(2R)-1-(2H-triazol-4-yl)propan-2-yl]oxyethanone;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[(2S)-1-(2H-triazol-4-yl)propan-2-yl]oxyethanone
PubChem CID163781008
Molecular FormulaC132H150N42O12
Molecular Weight2516.93 g/mol
Exact Mass2515.24
IUPAC Name1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;(2S)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;(2R)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[1-(2H-triazol-4-yl)propan-2-yloxy]ethanone;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[(2R)-1-(2H-triazol-4-yl)propan-2-yl]oxyethanone;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[(2S)-1-(2H-triazol-4-yl)propan-2-yl]oxyethanone
SMILESCC(Cc1cn[nH]n1)OCC(=O)N1Cc2cnc(NC3Cc4ccccc4C3)nc2C1.CC(OCCc1cn[nH]n1)C(=O)N1Cc2cnc(NC3Cc4ccccc4C3)nc2C1.C[C@@H](Cc1cn[nH]n1)OCC(=O)N1Cc2cnc(NC3Cc4ccccc4C3)nc2C1.C[C@@H](OCCc1cn[nH]n1)C(=O)N1Cc2cnc(NC3Cc4ccccc4C3)nc2C1.C[C@H](Cc1cn[nH]n1)OCC(=O)N1Cc2cnc(NC3Cc4ccccc4C3)nc2C1.C[C@H](OCCc1cn[nH]n1)C(=O)N1Cc2cnc(NC3Cc4ccccc4C3)nc2C1
InChIInChI=1S/6C22H25N7O2/c3*1-14(6-19-10-24-28-27-19)31-13-21(30)29-11-17-9-23-22(26-20(17)12-29)25-18-7-15-4-2-3-5-16(15)8-18;3*1-14(31-7-6-18-11-24-28-27-18)21(30)29-12-17-10-23-22(26-20(17)13-29)25-19-8-15-4-2-3-5-16(15)9-19/h3*2-5,9-10,14,18H,6-8,11-13H2,1H3,(H,23,25,26)(H,24,27,28);3*2-5,10-11,14,19H,6-9,12-13H2,1H3,(H,23,25,26)(H,24,27,28)/t2*14-;;2*14-;/m10.10./s1
InChIKeyMOOUYLOHLONUJN-FKQONAKQSA-N
XLogP9.98
TPSA653.52 Ų
H-Bond Donors12
H-Bond Acceptors42
Rotatable Bonds42
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002516.93
LogP ≤ 59.98
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1042

Analyze 1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;(2S)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;(2R)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[1-(2H-triazol-4-yl)propan-2-yloxy]ethanone;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[(2R)-1-(2H-triazol-4-yl)propan-2-yl]oxyethanone;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[(2S)-1-(2H-triazol-4-yl)propan-2-yl]oxyethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;(2S)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;(2R)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[1-(2H-triazol-4-yl)propan-2-yloxy]ethanone;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[(2R)-1-(2H-triazol-4-yl)propan-2-yl]oxyethanone;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[(2S)-1-(2H-triazol-4-yl)propan-2-yl]oxyethanone?
The IUPAC name of 1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;(2S)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;(2R)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[1-(2H-triazol-4-yl)propan-2-yloxy]ethanone;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[(2R)-1-(2H-triazol-4-yl)propan-2-yl]oxyethanone;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[(2S)-1-(2H-triazol-4-yl)propan-2-yl]oxyethanone (CID 163781008) is 1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;(2S)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;(2R)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[1-(2H-triazol-4-yl)propan-2-yloxy]ethanone;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[(2R)-1-(2H-triazol-4-yl)propan-2-yl]oxyethanone;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[(2S)-1-(2H-triazol-4-yl)propan-2-yl]oxyethanone.
What is the SMILES notation for 1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;(2S)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;(2R)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[1-(2H-triazol-4-yl)propan-2-yloxy]ethanone;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[(2R)-1-(2H-triazol-4-yl)propan-2-yl]oxyethanone;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[(2S)-1-(2H-triazol-4-yl)propan-2-yl]oxyethanone?
The canonical SMILES for 1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;(2S)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;(2R)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[1-(2H-triazol-4-yl)propan-2-yloxy]ethanone;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[(2R)-1-(2H-triazol-4-yl)propan-2-yl]oxyethanone;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[(2S)-1-(2H-triazol-4-yl)propan-2-yl]oxyethanone is CC(Cc1cn[nH]n1)OCC(=O)N1Cc2cnc(NC3Cc4ccccc4C3)nc2C1.CC(OCCc1cn[nH]n1)C(=O)N1Cc2cnc(NC3Cc4ccccc4C3)nc2C1.C[C@@H](Cc1cn[nH]n1)OCC(=O)N1Cc2cnc(NC3Cc4ccccc4C3)nc2C1.C[C@@H](OCCc1cn[nH]n1)C(=O)N1Cc2cnc(NC3Cc4ccccc4C3)nc2C1.C[C@H](Cc1cn[nH]n1)OCC(=O)N1Cc2cnc(NC3Cc4ccccc4C3)nc2C1.C[C@H](OCCc1cn[nH]n1)C(=O)N1Cc2cnc(NC3Cc4ccccc4C3)nc2C1.
What is the InChIKey of 1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;(2S)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;(2R)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[1-(2H-triazol-4-yl)propan-2-yloxy]ethanone;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[(2R)-1-(2H-triazol-4-yl)propan-2-yl]oxyethanone;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[(2S)-1-(2H-triazol-4-yl)propan-2-yl]oxyethanone?
The InChIKey is MOOUYLOHLONUJN-FKQONAKQSA-N. The full InChI is InChI=1S/6C22H25N7O2/c3*1-14(6-19-10-24-28-27-19)31-13-21(30)29-11-17-9-23-22(26-20(17)12-29)25-18-7-15-4-2-3-5-16(15)8-18;3*1-14(31-7-6-18-11-24-28-27-18)21(30)29-12-17-10-23-22(26-20(17)13-29)25-19-8-15-4-2-3-5-16(15)9-19/h3*2-5,9-10,14,18H,6-8,11-13H2,1H3,(H,23,25,26)(H,24,27,28);3*2-5,10-11,14,19H,6-9,12-13H2,1H3,(H,23,25,26)(H,24,27,28)/t2*14-;;2*14-;/m10.10./s1.
What are the key properties of 1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;(2S)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;(2R)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[1-(2H-triazol-4-yl)propan-2-yloxy]ethanone;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[(2R)-1-(2H-triazol-4-yl)propan-2-yl]oxyethanone;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[(2S)-1-(2H-triazol-4-yl)propan-2-yl]oxyethanone?
1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;(2S)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;(2R)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[1-(2H-triazol-4-yl)propan-2-yloxy]ethanone;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[(2R)-1-(2H-triazol-4-yl)propan-2-yl]oxyethanone;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[(2S)-1-(2H-triazol-4-yl)propan-2-yl]oxyethanone has a molecular weight of 2516.93 g/mol, XLogP of 9.98, 42 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;(2S)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;(2R)-1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[2-(2H-triazol-4-yl)ethoxy]propan-1-one;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[1-(2H-triazol-4-yl)propan-2-yloxy]ethanone;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[(2R)-1-(2H-triazol-4-yl)propan-2-yl]oxyethanone;1-[2-(2,3-dihydro-1H-inden-2-ylamino)-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl]-2-[(2S)-1-(2H-triazol-4-yl)propan-2-yl]oxyethanone is sourced from PubChem (CID 163781008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).