N-methyl-4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butanamide;N-methyl-3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propanamide;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;2-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]ethanol;3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propan-1-ol

C111H130N44O5S6 — CID 159449934

IUPACN-methyl-4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butanamide;N-methyl-3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propanamide;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;2-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]ethanol;3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propan-1-ol
SMILESCNC(=O)CCCNc1nc(Cc2cc(C)ns2)nc2ccn(-c3cnn(C)c3)c12.CNC(=O)CCNc1nc(Cc2cc(C)ns2)nc2ccn(-c3cnn(C)c3)c12.Cc1cc(Cc2nc(NC(C)C)c3c(ccn3-c3cnn(C)c3)n2)sn1.Cc1cc(Cc2nc(NCCCCO)c3c(ccn3-c3cnn(C)c3)n2)sn1.Cc1cc(Cc2nc(NCCCO)c3c(ccn3-c3cnn(C)c3)n2)sn1.Cc1cc(Cc2nc(NCCO)c3c(ccn3-c3cnn(C)c3)n2)sn1
InChIInChI=1S/C20H24N8OS.C19H22N8OS.C19H23N7OS.C18H21N7OS.C18H21N7S.C17H19N7OS/c1-13-9-15(30-26-13)10-17-24-16-6-8-28(14-11-23-27(3)12-14)19(16)20(25-17)22-7-4-5-18(29)21-2;1-12-8-14(29-25-12)9-16-23-15-5-7-27(13-10-22-26(3)11-13)18(15)19(24-16)21-6-4-17(28)20-2;1-13-9-15(28-24-13)10-17-22-16-5-7-26(14-11-21-25(2)12-14)18(16)19(23-17)20-6-3-4-8-27;1-12-8-14(27-23-12)9-16-21-15-4-6-25(13-10-20-24(2)11-13)17(15)18(22-16)19-5-3-7-26;1-11(2)20-18-17-15(5-6-25(17)13-9-19-24(4)10-13)21-16(22-18)8-14-7-12(3)23-26-14;1-11-7-13(26-22-11)8-15-20-14-3-5-24(12-9-19-23(2)10-12)16(14)17(21-15)18-4-6-25/h6,8-9,11-12H,4-5,7,10H2,1-3H3,(H,21,29)(H,22,24,25);5,7-8,10-11H,4,6,9H2,1-3H3,(H,20,28)(H,21,23,24);5,7,9,11-12,27H,3-4,6,8,10H2,1-2H3,(H,20,22,23);4,6,8,10-11,26H,3,5,7,9H2,1-2H3,(H,19,21,22);5-7,9-11H,8H2,1-4H3,(H,20,21,22);3,5,7,9-10,25H,4,6,8H2,1-2H3,(H,18,20,21)
InChIKeyLTFYTMWUCVNTEX-UHFFFAOYSA-N
MW2352.97 g/mol
LogP14.75
Rot. Bonds41

About N-methyl-4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butanamide;N-methyl-3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propanamide;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;2-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]ethanol;3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propan-1-ol

N-methyl-4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butanamide;N-methyl-3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propanamide;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;2-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]ethanol;3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propan-1-ol (PubChem CID 159449934) has the molecular formula C111H130N44O5S6 and a molecular weight of 2352.97 g/mol. Its IUPAC name is N-methyl-4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butanamide;N-methyl-3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propanamide;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;2-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]ethanol;3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound NameN-methyl-4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butanamide;N-methyl-3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propanamide;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;2-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]ethanol;3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propan-1-ol
PubChem CID159449934
Molecular FormulaC111H130N44O5S6
Molecular Weight2352.97 g/mol
Exact Mass2350.96
IUPAC NameN-methyl-4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butanamide;N-methyl-3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propanamide;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;2-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]ethanol;3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propan-1-ol
SMILESCNC(=O)CCCNc1nc(Cc2cc(C)ns2)nc2ccn(-c3cnn(C)c3)c12.CNC(=O)CCNc1nc(Cc2cc(C)ns2)nc2ccn(-c3cnn(C)c3)c12.Cc1cc(Cc2nc(NC(C)C)c3c(ccn3-c3cnn(C)c3)n2)sn1.Cc1cc(Cc2nc(NCCCCO)c3c(ccn3-c3cnn(C)c3)n2)sn1.Cc1cc(Cc2nc(NCCCO)c3c(ccn3-c3cnn(C)c3)n2)sn1.Cc1cc(Cc2nc(NCCO)c3c(ccn3-c3cnn(C)c3)n2)sn1
InChIInChI=1S/C20H24N8OS.C19H22N8OS.C19H23N7OS.C18H21N7OS.C18H21N7S.C17H19N7OS/c1-13-9-15(30-26-13)10-17-24-16-6-8-28(14-11-23-27(3)12-14)19(16)20(25-17)22-7-4-5-18(29)21-2;1-12-8-14(29-25-12)9-16-23-15-5-7-27(13-10-22-26(3)11-13)18(15)19(24-16)21-6-4-17(28)20-2;1-13-9-15(28-24-13)10-17-22-16-5-7-26(14-11-21-25(2)12-14)18(16)19(23-17)20-6-3-4-8-27;1-12-8-14(27-23-12)9-16-21-15-4-6-25(13-10-20-24(2)11-13)17(15)18(22-16)19-5-3-7-26;1-11(2)20-18-17-15(5-6-25(17)13-9-19-24(4)10-13)21-16(22-18)8-14-7-12(3)23-26-14;1-11-7-13(26-22-11)8-15-20-14-3-5-24(12-9-19-23(2)10-12)16(14)17(21-15)18-4-6-25/h6,8-9,11-12H,4-5,7,10H2,1-3H3,(H,21,29)(H,22,24,25);5,7-8,10-11H,4,6,9H2,1-3H3,(H,20,28)(H,21,23,24);5,7,9,11-12,27H,3-4,6,8,10H2,1-2H3,(H,20,22,23);4,6,8,10-11,26H,3,5,7,9H2,1-2H3,(H,19,21,22);5-7,9-11H,8H2,1-4H3,(H,20,21,22);3,5,7,9-10,25H,4,6,8H2,1-2H3,(H,18,20,21)
InChIKeyLTFYTMWUCVNTEX-UHFFFAOYSA-N
XLogP14.75
TPSA559.59 Ų
H-Bond Donors11
H-Bond Acceptors53
Rotatable Bonds41
Heavy Atoms166
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002352.97
LogP ≤ 514.75
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1053

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-methyl-4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butanamide;N-methyl-3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propanamide;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;2-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]ethanol;3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butanamide;N-methyl-3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propanamide;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;2-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]ethanol;3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propan-1-ol?
The IUPAC name of N-methyl-4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butanamide;N-methyl-3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propanamide;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;2-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]ethanol;3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propan-1-ol (CID 159449934) is N-methyl-4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butanamide;N-methyl-3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propanamide;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;2-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]ethanol;3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for N-methyl-4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butanamide;N-methyl-3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propanamide;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;2-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]ethanol;3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propan-1-ol?
The canonical SMILES for N-methyl-4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butanamide;N-methyl-3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propanamide;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;2-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]ethanol;3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propan-1-ol is CNC(=O)CCCNc1nc(Cc2cc(C)ns2)nc2ccn(-c3cnn(C)c3)c12.CNC(=O)CCNc1nc(Cc2cc(C)ns2)nc2ccn(-c3cnn(C)c3)c12.Cc1cc(Cc2nc(NC(C)C)c3c(ccn3-c3cnn(C)c3)n2)sn1.Cc1cc(Cc2nc(NCCCCO)c3c(ccn3-c3cnn(C)c3)n2)sn1.Cc1cc(Cc2nc(NCCCO)c3c(ccn3-c3cnn(C)c3)n2)sn1.Cc1cc(Cc2nc(NCCO)c3c(ccn3-c3cnn(C)c3)n2)sn1.
What is the InChIKey of N-methyl-4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butanamide;N-methyl-3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propanamide;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;2-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]ethanol;3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propan-1-ol?
The InChIKey is LTFYTMWUCVNTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8OS.C19H22N8OS.C19H23N7OS.C18H21N7OS.C18H21N7S.C17H19N7OS/c1-13-9-15(30-26-13)10-17-24-16-6-8-28(14-11-23-27(3)12-14)19(16)20(25-17)22-7-4-5-18(29)21-2;1-12-8-14(29-25-12)9-16-23-15-5-7-27(13-10-22-26(3)11-13)18(15)19(24-16)21-6-4-17(28)20-2;1-13-9-15(28-24-13)10-17-22-16-5-7-26(14-11-21-25(2)12-14)18(16)19(23-17)20-6-3-4-8-27;1-12-8-14(27-23-12)9-16-21-15-4-6-25(13-10-20-24(2)11-13)17(15)18(22-16)19-5-3-7-26;1-11(2)20-18-17-15(5-6-25(17)13-9-19-24(4)10-13)21-16(22-18)8-14-7-12(3)23-26-14;1-11-7-13(26-22-11)8-15-20-14-3-5-24(12-9-19-23(2)10-12)16(14)17(21-15)18-4-6-25/h6,8-9,11-12H,4-5,7,10H2,1-3H3,(H,21,29)(H,22,24,25);5,7-8,10-11H,4,6,9H2,1-3H3,(H,20,28)(H,21,23,24);5,7,9,11-12,27H,3-4,6,8,10H2,1-2H3,(H,20,22,23);4,6,8,10-11,26H,3,5,7,9H2,1-2H3,(H,19,21,22);5-7,9-11H,8H2,1-4H3,(H,20,21,22);3,5,7,9-10,25H,4,6,8H2,1-2H3,(H,18,20,21).
What are the key properties of N-methyl-4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butanamide;N-methyl-3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propanamide;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;2-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]ethanol;3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propan-1-ol?
N-methyl-4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butanamide;N-methyl-3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propanamide;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;2-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]ethanol;3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propan-1-ol has a molecular weight of 2352.97 g/mol, XLogP of 14.75, 41 rotatable bonds, 11 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butanamide;N-methyl-3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propanamide;5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;4-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]butan-1-ol;2-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]ethanol;3-[[5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 159449934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).