2-[(1-cyclohexylpyrazol-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;2-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidine;5-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidine;4-[[5-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;5-(1-methylpyrazol-4-yl)-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-2-(1H-pyrazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine

C123H146FN45O8 — CID 159930355

IUPAC2-[(1-cyclohexylpyrazol-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;2-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidine;5-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidine;4-[[5-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;5-(1-methylpyrazol-4-yl)-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-2-(1H-pyrazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine
SMILESCC(C)Nc1nc(Cc2cnn(C3CCCCC3)c2)nc2ccn(-c3cnn(C)c3)c12.CC(C)Nc1nc(Cc2cnn(C3CCOCC3)c2)nc2ccn(-c3cnn(C)c3)c12.Cn1cc(-n2ccc3nc(Cc4cn[nH]c4)nc(O[C@H]4CCOC4)c32)cn1.Cn1cc(-n2ccc3nc(Cc4cnn(CCF)c4)nc(O[C@H]4CCOC4)c32)cn1.Cn1cc(Cc2nc(NC3CCC(O)CC3)c3c(ccn3-c3cnn(C)c3)n2)cn1.Cn1cc(Cc2nc(O[C@H]3CCOC3)c3c(ccn3-c3cnn(C)c3)n2)cn1
InChIInChI=1S/C23H30N8.C22H28N8O.C21H26N8O.C20H22FN7O2.C19H21N7O2.C18H19N7O2/c1-16(2)26-23-22-20(9-10-30(22)19-13-24-29(3)15-19)27-21(28-23)11-17-12-25-31(14-17)18-7-5-4-6-8-18;1-15(2)25-22-21-19(4-7-29(21)18-12-23-28(3)14-18)26-20(27-22)10-16-11-24-30(13-16)17-5-8-31-9-6-17;1-27-12-14(10-22-27)9-19-25-18-7-8-29(16-11-23-28(2)13-16)20(18)21(26-19)24-15-3-5-17(30)6-4-15;1-26-12-15(10-22-26)28-5-2-17-19(28)20(30-16-3-7-29-13-16)25-18(24-17)8-14-9-23-27(11-14)6-4-21;1-24-10-13(8-20-24)7-17-22-16-3-5-26(14-9-21-25(2)11-14)18(16)19(23-17)28-15-4-6-27-12-15;1-24-10-13(9-21-24)25-4-2-15-17(25)18(27-14-3-5-26-11-14)23-16(22-15)6-12-7-19-20-8-12/h9-10,12-16,18H,4-8,11H2,1-3H3,(H,26,27,28);4,7,11-15,17H,5-6,8-10H2,1-3H3,(H,25,26,27);7-8,10-13,15,17,30H,3-6,9H2,1-2H3,(H,24,25,26);2,5,9-12,16H,3-4,6-8,13H2,1H3;3,5,8-11,15H,4,6-7,12H2,1-2H3;2,4,7-10,14H,3,5-6,11H2,1H3,(H,19,20)/t;;;16-;15-;14-/m...000/s1
InChIKeyNZODGUHKQMWNHH-XTEPSAQXSA-N
MW2401.83 g/mol
LogP14.93
Rot. Bonds34

About 2-[(1-cyclohexylpyrazol-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;2-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidine;5-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidine;4-[[5-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;5-(1-methylpyrazol-4-yl)-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-2-(1H-pyrazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine

2-[(1-cyclohexylpyrazol-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;2-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidine;5-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidine;4-[[5-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;5-(1-methylpyrazol-4-yl)-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-2-(1H-pyrazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine (PubChem CID 159930355) has the molecular formula C123H146FN45O8 and a molecular weight of 2401.83 g/mol. Its IUPAC name is 2-[(1-cyclohexylpyrazol-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;2-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidine;5-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidine;4-[[5-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;5-(1-methylpyrazol-4-yl)-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-2-(1H-pyrazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-[(1-cyclohexylpyrazol-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;2-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidine;5-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidine;4-[[5-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;5-(1-methylpyrazol-4-yl)-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-2-(1H-pyrazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine
PubChem CID159930355
Molecular FormulaC123H146FN45O8
Molecular Weight2401.83 g/mol
Exact Mass2400.24
IUPAC Name2-[(1-cyclohexylpyrazol-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;2-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidine;5-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidine;4-[[5-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;5-(1-methylpyrazol-4-yl)-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-2-(1H-pyrazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine
SMILESCC(C)Nc1nc(Cc2cnn(C3CCCCC3)c2)nc2ccn(-c3cnn(C)c3)c12.CC(C)Nc1nc(Cc2cnn(C3CCOCC3)c2)nc2ccn(-c3cnn(C)c3)c12.Cn1cc(-n2ccc3nc(Cc4cn[nH]c4)nc(O[C@H]4CCOC4)c32)cn1.Cn1cc(-n2ccc3nc(Cc4cnn(CCF)c4)nc(O[C@H]4CCOC4)c32)cn1.Cn1cc(Cc2nc(NC3CCC(O)CC3)c3c(ccn3-c3cnn(C)c3)n2)cn1.Cn1cc(Cc2nc(O[C@H]3CCOC3)c3c(ccn3-c3cnn(C)c3)n2)cn1
InChIInChI=1S/C23H30N8.C22H28N8O.C21H26N8O.C20H22FN7O2.C19H21N7O2.C18H19N7O2/c1-16(2)26-23-22-20(9-10-30(22)19-13-24-29(3)15-19)27-21(28-23)11-17-12-25-31(14-17)18-7-5-4-6-8-18;1-15(2)25-22-21-19(4-7-29(21)18-12-23-28(3)14-18)26-20(27-22)10-16-11-24-30(13-16)17-5-8-31-9-6-17;1-27-12-14(10-22-27)9-19-25-18-7-8-29(16-11-23-28(2)13-16)20(18)21(26-19)24-15-3-5-17(30)6-4-15;1-26-12-15(10-22-26)28-5-2-17-19(28)20(30-16-3-7-29-13-16)25-18(24-17)8-14-9-23-27(11-14)6-4-21;1-24-10-13(8-20-24)7-17-22-16-3-5-26(14-9-21-25(2)11-14)18(16)19(23-17)28-15-4-6-27-12-15;1-24-10-13(9-21-24)25-4-2-15-17(25)18(27-14-3-5-26-11-14)23-16(22-15)6-12-7-19-20-8-12/h9-10,12-16,18H,4-8,11H2,1-3H3,(H,26,27,28);4,7,11-15,17H,5-6,8-10H2,1-3H3,(H,25,26,27);7-8,10-13,15,17,30H,3-6,9H2,1-2H3,(H,24,25,26);2,5,9-12,16H,3-4,6-8,13H2,1H3;3,5,8-11,15H,4,6-7,12H2,1-2H3;2,4,7-10,14H,3,5-6,11H2,1H3,(H,19,20)/t;;;16-;15-;14-/m...000/s1
InChIKeyNZODGUHKQMWNHH-XTEPSAQXSA-N
XLogP14.93
TPSA529.89 Ų
H-Bond Donors5
H-Bond Acceptors52
Rotatable Bonds34
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002401.83
LogP ≤ 514.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1052

Analyze 2-[(1-cyclohexylpyrazol-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;2-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidine;5-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidine;4-[[5-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;5-(1-methylpyrazol-4-yl)-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-2-(1H-pyrazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-2-(thiophen-2-ylmethyl)pyrrolo[3,2-d]pyrimidine
CID 159454780
5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-N-[(3R)-oxolan-3-yl]thiophene-3-carboxamide
CID 158668814
N-methyl-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-amine
CID 145257094
3-methyl-N-[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]-1,2-oxazol-5-amine
CID 135129317
5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-N-phenylpyrrolo[3,2-d]pyrimidin-2-amine
CID 135129166
N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-ylamino)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide
CID 158201684
N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]-3H-dithiole-3-carboxamide
CID 154827158
5-[[5-[1-(2-methoxyethyl)pyrazol-4-yl]-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-3-methyl-1,2-thiazole
CID 161357515
2-N-(5-methyl-1H-pyrazol-3-yl)-5-[1-(oxan-4-yl)pyrazol-4-yl]-4-N-propan-2-ylpyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 154827138
5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-N-(1-phenylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-amine
CID 135129208
N-cyclopropyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]thiophene-3-carboxamide
CID 135129104
2-N-(3-methyl-1,2-thiazol-5-yl)-5-[1-(oxan-4-yl)pyrazol-4-yl]-4-N-propan-2-ylpyrrolo[3,2-d]pyrimidine-2,4-diamine
CID 135129106

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclohexylpyrazol-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;2-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidine;5-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidine;4-[[5-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;5-(1-methylpyrazol-4-yl)-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-2-(1H-pyrazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 2-[(1-cyclohexylpyrazol-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;2-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidine;5-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidine;4-[[5-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;5-(1-methylpyrazol-4-yl)-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-2-(1H-pyrazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine (CID 159930355) is 2-[(1-cyclohexylpyrazol-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;2-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidine;5-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidine;4-[[5-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;5-(1-methylpyrazol-4-yl)-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-2-(1H-pyrazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-[(1-cyclohexylpyrazol-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;2-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidine;5-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidine;4-[[5-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;5-(1-methylpyrazol-4-yl)-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-2-(1H-pyrazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 2-[(1-cyclohexylpyrazol-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;2-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidine;5-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidine;4-[[5-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;5-(1-methylpyrazol-4-yl)-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-2-(1H-pyrazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine is CC(C)Nc1nc(Cc2cnn(C3CCCCC3)c2)nc2ccn(-c3cnn(C)c3)c12.CC(C)Nc1nc(Cc2cnn(C3CCOCC3)c2)nc2ccn(-c3cnn(C)c3)c12.Cn1cc(-n2ccc3nc(Cc4cn[nH]c4)nc(O[C@H]4CCOC4)c32)cn1.Cn1cc(-n2ccc3nc(Cc4cnn(CCF)c4)nc(O[C@H]4CCOC4)c32)cn1.Cn1cc(Cc2nc(NC3CCC(O)CC3)c3c(ccn3-c3cnn(C)c3)n2)cn1.Cn1cc(Cc2nc(O[C@H]3CCOC3)c3c(ccn3-c3cnn(C)c3)n2)cn1.
What is the InChIKey of 2-[(1-cyclohexylpyrazol-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;2-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidine;5-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidine;4-[[5-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;5-(1-methylpyrazol-4-yl)-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-2-(1H-pyrazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine?
The InChIKey is NZODGUHKQMWNHH-XTEPSAQXSA-N. The full InChI is InChI=1S/C23H30N8.C22H28N8O.C21H26N8O.C20H22FN7O2.C19H21N7O2.C18H19N7O2/c1-16(2)26-23-22-20(9-10-30(22)19-13-24-29(3)15-19)27-21(28-23)11-17-12-25-31(14-17)18-7-5-4-6-8-18;1-15(2)25-22-21-19(4-7-29(21)18-12-23-28(3)14-18)26-20(27-22)10-16-11-24-30(13-16)17-5-8-31-9-6-17;1-27-12-14(10-22-27)9-19-25-18-7-8-29(16-11-23-28(2)13-16)20(18)21(26-19)24-15-3-5-17(30)6-4-15;1-26-12-15(10-22-26)28-5-2-17-19(28)20(30-16-3-7-29-13-16)25-18(24-17)8-14-9-23-27(11-14)6-4-21;1-24-10-13(8-20-24)7-17-22-16-3-5-26(14-9-21-25(2)11-14)18(16)19(23-17)28-15-4-6-27-12-15;1-24-10-13(9-21-24)25-4-2-15-17(25)18(27-14-3-5-26-11-14)23-16(22-15)6-12-7-19-20-8-12/h9-10,12-16,18H,4-8,11H2,1-3H3,(H,26,27,28);4,7,11-15,17H,5-6,8-10H2,1-3H3,(H,25,26,27);7-8,10-13,15,17,30H,3-6,9H2,1-2H3,(H,24,25,26);2,5,9-12,16H,3-4,6-8,13H2,1H3;3,5,8-11,15H,4,6-7,12H2,1-2H3;2,4,7-10,14H,3,5-6,11H2,1H3,(H,19,20)/t;;;16-;15-;14-/m...000/s1.
What are the key properties of 2-[(1-cyclohexylpyrazol-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;2-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidine;5-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidine;4-[[5-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;5-(1-methylpyrazol-4-yl)-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-2-(1H-pyrazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine?
2-[(1-cyclohexylpyrazol-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;2-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidine;5-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidine;4-[[5-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;5-(1-methylpyrazol-4-yl)-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-2-(1H-pyrazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine has a molecular weight of 2401.83 g/mol, XLogP of 14.93, 34 rotatable bonds, 5 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclohexylpyrazol-4-yl)methyl]-5-(1-methylpyrazol-4-yl)-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;2-[[1-(2-fluoroethyl)pyrazol-4-yl]methyl]-5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidine;5-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidine;4-[[5-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolo[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol;5-(1-methylpyrazol-4-yl)-2-[[1-(oxan-4-yl)pyrazol-4-yl]methyl]-N-propan-2-ylpyrrolo[3,2-d]pyrimidin-4-amine;5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxy-2-(1H-pyrazol-4-ylmethyl)pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 159930355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).