N,N-dimethyl-4-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N,N-dimethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;N-methyl-4-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide

C134H156N42O11S6 — CID 162085884

IUPACN,N-dimethyl-4-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N,N-dimethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;N-methyl-4-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide
SMILESCCNC(=O)c1csc(Cc2nc(NC3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)c1.CN(C)C(=O)c1cc(Cc2nc(NC3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)cs1.CN(C)C(=O)c1csc(Cc2nc(NC3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)c1.CNC(=O)c1cc(Cc2nc(NC3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)cs1.CNC(=O)c1csc(Cc2nc(NC3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)c1.Cc1cc(Cc2nc(N(C)C3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)sn1
InChIInChI=1S/3C23H27N7O2S.2C22H25N7O2S.C21H25N7OS/c1-28(2)23(31)15-10-18(33-14-15)11-20-26-19-4-7-30(17-12-24-29(3)13-17)21(19)22(27-20)25-16-5-8-32-9-6-16;1-28(2)23(31)19-10-15(14-33-19)11-20-26-18-4-7-30(17-12-24-29(3)13-17)21(18)22(27-20)25-16-5-8-32-9-6-16;1-3-24-23(31)15-10-18(33-14-15)11-20-27-19-4-7-30(17-12-25-29(2)13-17)21(19)22(28-20)26-16-5-8-32-9-6-16;1-23-22(30)14-9-17(32-13-14)10-19-26-18-3-6-29(16-11-24-28(2)12-16)20(18)21(27-19)25-15-4-7-31-8-5-15;1-23-22(30)18-9-14(13-32-18)10-19-26-17-3-6-29(16-11-24-28(2)12-16)20(17)21(27-19)25-15-4-7-31-8-5-15;1-14-10-17(30-25-14)11-19-23-18-4-7-28(16-12-22-26(2)13-16)20(18)21(24-19)27(3)15-5-8-29-9-6-15/h2*4,7,10,12-14,16H,5-6,8-9,11H2,1-3H3,(H,25,26,27);4,7,10,12-14,16H,3,5-6,8-9,11H2,1-2H3,(H,24,31)(H,26,27,28);2*3,6,9,11-13,15H,4-5,7-8,10H2,1-2H3,(H,23,30)(H,25,26,27);4,7,10,12-13,15H,5-6,8-9,11H2,1-3H3
InChIKeyZCYIXYRROYKSGB-UHFFFAOYSA-N
MW2723.41 g/mol
LogP17.98
Rot. Bonds36

About N,N-dimethyl-4-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N,N-dimethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;N-methyl-4-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide

N,N-dimethyl-4-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N,N-dimethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;N-methyl-4-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide (PubChem CID 162085884) has the molecular formula C134H156N42O11S6 and a molecular weight of 2723.41 g/mol. Its IUPAC name is N,N-dimethyl-4-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N,N-dimethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;N-methyl-4-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N,N-dimethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;N-methyl-4-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide
PubChem CID162085884
Molecular FormulaC134H156N42O11S6
Molecular Weight2723.41 g/mol
Exact Mass2721.13
IUPAC NameN,N-dimethyl-4-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N,N-dimethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;N-methyl-4-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide
SMILESCCNC(=O)c1csc(Cc2nc(NC3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)c1.CN(C)C(=O)c1cc(Cc2nc(NC3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)cs1.CN(C)C(=O)c1csc(Cc2nc(NC3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)c1.CNC(=O)c1cc(Cc2nc(NC3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)cs1.CNC(=O)c1csc(Cc2nc(NC3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)c1.Cc1cc(Cc2nc(N(C)C3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)sn1
InChIInChI=1S/3C23H27N7O2S.2C22H25N7O2S.C21H25N7OS/c1-28(2)23(31)15-10-18(33-14-15)11-20-26-19-4-7-30(17-12-24-29(3)13-17)21(19)22(27-20)25-16-5-8-32-9-6-16;1-28(2)23(31)19-10-15(14-33-19)11-20-26-18-4-7-30(17-12-24-29(3)13-17)21(18)22(27-20)25-16-5-8-32-9-6-16;1-3-24-23(31)15-10-18(33-14-15)11-20-27-19-4-7-30(17-12-25-29(2)13-17)21(19)22(28-20)26-16-5-8-32-9-6-16;1-23-22(30)14-9-17(32-13-14)10-19-26-18-3-6-29(16-11-24-28(2)12-16)20(18)21(27-19)25-15-4-7-31-8-5-15;1-23-22(30)18-9-14(13-32-18)10-19-26-17-3-6-29(16-11-24-28(2)12-16)20(17)21(27-19)25-15-4-7-31-8-5-15;1-14-10-17(30-25-14)11-19-23-18-4-7-28(16-12-22-26(2)13-16)20(18)21(24-19)27(3)15-5-8-29-9-6-15/h2*4,7,10,12-14,16H,5-6,8-9,11H2,1-3H3,(H,25,26,27);4,7,10,12-14,16H,3,5-6,8-9,11H2,1-2H3,(H,24,31)(H,26,27,28);2*3,6,9,11-13,15H,4-5,7-8,10H2,1-2H3,(H,23,30)(H,25,26,27);4,7,10,12-13,15H,5-6,8-9,11H2,1-3H3
InChIKeyZCYIXYRROYKSGB-UHFFFAOYSA-N
XLogP17.98
TPSA550.76 Ų
H-Bond Donors8
H-Bond Acceptors54
Rotatable Bonds36
Heavy Atoms193
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002723.41
LogP ≤ 517.98
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1054

Analyze N,N-dimethyl-4-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N,N-dimethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;N-methyl-4-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide 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 N,N-dimethyl-4-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N,N-dimethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;N-methyl-4-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide?
The IUPAC name of N,N-dimethyl-4-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N,N-dimethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;N-methyl-4-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide (CID 162085884) is N,N-dimethyl-4-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N,N-dimethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;N-methyl-4-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N,N-dimethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;N-methyl-4-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide?
The canonical SMILES for N,N-dimethyl-4-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N,N-dimethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;N-methyl-4-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide is CCNC(=O)c1csc(Cc2nc(NC3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)c1.CN(C)C(=O)c1cc(Cc2nc(NC3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)cs1.CN(C)C(=O)c1csc(Cc2nc(NC3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)c1.CNC(=O)c1cc(Cc2nc(NC3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)cs1.CNC(=O)c1csc(Cc2nc(NC3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)c1.Cc1cc(Cc2nc(N(C)C3CCOCC3)c3c(ccn3-c3cnn(C)c3)n2)sn1.
What is the InChIKey of N,N-dimethyl-4-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N,N-dimethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;N-methyl-4-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide?
The InChIKey is ZCYIXYRROYKSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C23H27N7O2S.2C22H25N7O2S.C21H25N7OS/c1-28(2)23(31)15-10-18(33-14-15)11-20-26-19-4-7-30(17-12-24-29(3)13-17)21(19)22(27-20)25-16-5-8-32-9-6-16;1-28(2)23(31)19-10-15(14-33-19)11-20-26-18-4-7-30(17-12-24-29(3)13-17)21(18)22(27-20)25-16-5-8-32-9-6-16;1-3-24-23(31)15-10-18(33-14-15)11-20-27-19-4-7-30(17-12-25-29(2)13-17)21(19)22(28-20)26-16-5-8-32-9-6-16;1-23-22(30)14-9-17(32-13-14)10-19-26-18-3-6-29(16-11-24-28(2)12-16)20(18)21(27-19)25-15-4-7-31-8-5-15;1-23-22(30)18-9-14(13-32-18)10-19-26-17-3-6-29(16-11-24-28(2)12-16)20(17)21(27-19)25-15-4-7-31-8-5-15;1-14-10-17(30-25-14)11-19-23-18-4-7-28(16-12-22-26(2)13-16)20(18)21(24-19)27(3)15-5-8-29-9-6-15/h2*4,7,10,12-14,16H,5-6,8-9,11H2,1-3H3,(H,25,26,27);4,7,10,12-14,16H,3,5-6,8-9,11H2,1-2H3,(H,24,31)(H,26,27,28);2*3,6,9,11-13,15H,4-5,7-8,10H2,1-2H3,(H,23,30)(H,25,26,27);4,7,10,12-13,15H,5-6,8-9,11H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N,N-dimethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;N-methyl-4-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide?
N,N-dimethyl-4-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N,N-dimethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;N-methyl-4-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide has a molecular weight of 2723.41 g/mol, XLogP of 17.98, 36 rotatable bonds, 8 hydrogen bond donors, and 54 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N,N-dimethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-methyl-5-(1-methylpyrazol-4-yl)-2-[(3-methyl-1,2-thiazol-5-yl)methyl]-N-(oxan-4-yl)pyrrolo[3,2-d]pyrimidin-4-amine;N-methyl-4-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-2-carboxamide;N-methyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide is sourced from PubChem (CID 162085884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).