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-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;5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-2-[(1-pyridin-3-ylpyrazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine

C136H153N43O12S5 — CID 161163811

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-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;5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-2-[(1-pyridin-3-ylpyrazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine
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.Cn1cc(-n2ccc3nc(Cc4cnn(-c5cccnc5)c4)nc(O[C@H]4CCOC4)c32)cn1
InChIInChI=1S/C23H22N8O2.3C23H27N7O2S.2C22H25N7O2S/c1-29-14-18(12-25-29)30-7-4-20-22(30)23(33-19-5-8-32-15-19)28-21(27-20)9-16-10-26-31(13-16)17-3-2-6-24-11-17;1-28(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/h2-4,6-7,10-14,19H,5,8-9,15H2,1H3;2*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)/t19-;;;;;/m0...../s1
InChIKeyUQGPGTSBWHAIFU-DTFPXZKCSA-N
MW2742.34 g/mol
LogP17.35
Rot. Bonds37

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-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;5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-2-[(1-pyridin-3-ylpyrazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine

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-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;5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-2-[(1-pyridin-3-ylpyrazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine (PubChem CID 161163811) has the molecular formula C136H153N43O12S5 and a molecular weight of 2742.34 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-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;5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-2-[(1-pyridin-3-ylpyrazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine.

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-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;5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-2-[(1-pyridin-3-ylpyrazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine
PubChem CID161163811
Molecular FormulaC136H153N43O12S5
Molecular Weight2742.34 g/mol
Exact Mass2740.13
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-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;5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-2-[(1-pyridin-3-ylpyrazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine
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.Cn1cc(-n2ccc3nc(Cc4cnn(-c5cccnc5)c4)nc(O[C@H]4CCOC4)c32)cn1
InChIInChI=1S/C23H22N8O2.3C23H27N7O2S.2C22H25N7O2S/c1-29-14-18(12-25-29)30-7-4-20-22(30)23(33-19-5-8-32-15-19)28-21(27-20)9-16-10-26-31(13-16)17-3-2-6-24-11-17;1-28(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/h2-4,6-7,10-14,19H,5,8-9,15H2,1H3;2*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)/t19-;;;;;/m0...../s1
InChIKeyUQGPGTSBWHAIFU-DTFPXZKCSA-N
XLogP17.35
TPSA574.57 Ų
H-Bond Donors8
H-Bond Acceptors55
Rotatable Bonds37
Heavy Atoms196
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002742.34
LogP ≤ 517.35
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1055

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-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;5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-2-[(1-pyridin-3-ylpyrazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine with MolForge

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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-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;5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-2-[(1-pyridin-3-ylpyrazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine?
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-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;5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-2-[(1-pyridin-3-ylpyrazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine (CID 161163811) 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-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;5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-2-[(1-pyridin-3-ylpyrazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine.
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-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;5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-2-[(1-pyridin-3-ylpyrazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine?
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-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;5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-2-[(1-pyridin-3-ylpyrazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine 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.Cn1cc(-n2ccc3nc(Cc4cnn(-c5cccnc5)c4)nc(O[C@H]4CCOC4)c32)cn1.
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-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;5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-2-[(1-pyridin-3-ylpyrazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine?
The InChIKey is UQGPGTSBWHAIFU-DTFPXZKCSA-N. The full InChI is InChI=1S/C23H22N8O2.3C23H27N7O2S.2C22H25N7O2S/c1-29-14-18(12-25-29)30-7-4-20-22(30)23(33-19-5-8-32-15-19)28-21(27-20)9-16-10-26-31(13-16)17-3-2-6-24-11-17;1-28(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/h2-4,6-7,10-14,19H,5,8-9,15H2,1H3;2*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)/t19-;;;;;/m0...../s1.
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-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;5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-2-[(1-pyridin-3-ylpyrazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine?
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-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;5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-2-[(1-pyridin-3-ylpyrazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine has a molecular weight of 2742.34 g/mol, XLogP of 17.35, 37 rotatable bonds, 8 hydrogen bond donors, and 55 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-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;5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-2-[(1-pyridin-3-ylpyrazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 161163811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).