N-cyclohexyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N,N-dimethyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-(1-methylpiperidin-4-yl)-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-N-(oxan-4-yl)thiophene-3-carboxamide;5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-N-[(3S)-oxolan-3-yl]thiophene-3-carboxamide;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

C147H165N37O21S6 — CID 159640027

IUPACN-cyclohexyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N,N-dimethyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-(1-methylpiperidin-4-yl)-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-N-(oxan-4-yl)thiophene-3-carboxamide;5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-N-[(3S)-oxolan-3-yl]thiophene-3-carboxamide;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
SMILESCN(C)C(=O)c1csc(Cc2nc(O[C@H]3CCOC3)c3c(ccn3-c3cnn(C)c3)n2)c1.CN1CCC(NC(=O)c2csc(Cc3nc(O[C@H]4CCOC4)c4c(ccn4-c4cnn(C)c4)n3)c2)CC1.Cn1cc(-n2ccc3nc(Cc4cc(C(=O)NC5CCCCC5)cs4)nc(O[C@H]4CCOC4)c32)cn1.Cn1cc(-n2ccc3nc(Cc4cc(C(=O)NC5CCOCC5)cs4)nc(O[C@H]4CCOC4)c32)cn1.Cn1cc(-n2ccc3nc(Cc4cc(C(=O)N[C@@H]5CCOC5)cs4)nc(O[C@H]4CCOC4)c32)cn1.Cn1cc(-n2ccc3nc(Cc4cc(C(=O)N[C@H]5CCOC5)cs4)nc(O[C@H]4CCOC4)c32)cn1
InChIInChI=1S/C26H31N7O3S.C26H30N6O3S.C25H28N6O4S.2C24H26N6O4S.C22H24N6O3S/c1-31-7-3-18(4-8-31)28-25(34)17-11-21(37-16-17)12-23-29-22-5-9-33(19-13-27-32(2)14-19)24(22)26(30-23)36-20-6-10-35-15-20;1-31-14-19(13-27-31)32-9-7-22-24(32)26(35-20-8-10-34-15-20)30-23(29-22)12-21-11-17(16-36-21)25(33)28-18-5-3-2-4-6-18;1-30-13-18(12-26-30)31-6-2-21-23(31)25(35-19-5-9-34-14-19)29-22(28-21)11-20-10-16(15-36-20)24(32)27-17-3-7-33-8-4-17;2*1-29-11-17(10-25-29)30-5-2-20-22(30)24(34-18-4-7-33-13-18)28-21(27-20)9-19-8-15(14-35-19)23(31)26-16-3-6-32-12-16;1-26(2)22(29)14-8-17(32-13-14)9-19-24-18-4-6-28(15-10-23-27(3)11-15)20(18)21(25-19)31-16-5-7-30-12-16/h5,9,11,13-14,16,18,20H,3-4,6-8,10,12,15H2,1-2H3,(H,28,34);7,9,11,13-14,16,18,20H,2-6,8,10,12,15H2,1H3,(H,28,33);2,6,10,12-13,15,17,19H,3-5,7-9,11,14H2,1H3,(H,27,32);2*2,5,8,10-11,14,16,18H,3-4,6-7,9,12-13H2,1H3,(H,26,31);4,6,8,10-11,13,16H,5,7,9,12H2,1-3H3/t2*20-;19-;16-,18+;16-,18-;16-/m000100/s1
InChIKeyMQFSAAJFTQULGC-HIBVJXMGSA-N
MW2978.58 g/mol
LogP17.38
Rot. Bonds41

About N-cyclohexyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N,N-dimethyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-(1-methylpiperidin-4-yl)-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-N-(oxan-4-yl)thiophene-3-carboxamide;5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-N-[(3S)-oxolan-3-yl]thiophene-3-carboxamide;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

N-cyclohexyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N,N-dimethyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-(1-methylpiperidin-4-yl)-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-N-(oxan-4-yl)thiophene-3-carboxamide;5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-N-[(3S)-oxolan-3-yl]thiophene-3-carboxamide;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 (PubChem CID 159640027) has the molecular formula C147H165N37O21S6 and a molecular weight of 2978.58 g/mol. Its IUPAC name is N-cyclohexyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N,N-dimethyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-(1-methylpiperidin-4-yl)-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-N-(oxan-4-yl)thiophene-3-carboxamide;5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-N-[(3S)-oxolan-3-yl]thiophene-3-carboxamide;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.

Molecular Properties

Compound NameN-cyclohexyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N,N-dimethyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-(1-methylpiperidin-4-yl)-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-N-(oxan-4-yl)thiophene-3-carboxamide;5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-N-[(3S)-oxolan-3-yl]thiophene-3-carboxamide;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
PubChem CID159640027
Molecular FormulaC147H165N37O21S6
Molecular Weight2978.58 g/mol
Exact Mass2976.13
IUPAC NameN-cyclohexyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N,N-dimethyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-(1-methylpiperidin-4-yl)-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-N-(oxan-4-yl)thiophene-3-carboxamide;5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-N-[(3S)-oxolan-3-yl]thiophene-3-carboxamide;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
SMILESCN(C)C(=O)c1csc(Cc2nc(O[C@H]3CCOC3)c3c(ccn3-c3cnn(C)c3)n2)c1.CN1CCC(NC(=O)c2csc(Cc3nc(O[C@H]4CCOC4)c4c(ccn4-c4cnn(C)c4)n3)c2)CC1.Cn1cc(-n2ccc3nc(Cc4cc(C(=O)NC5CCCCC5)cs4)nc(O[C@H]4CCOC4)c32)cn1.Cn1cc(-n2ccc3nc(Cc4cc(C(=O)NC5CCOCC5)cs4)nc(O[C@H]4CCOC4)c32)cn1.Cn1cc(-n2ccc3nc(Cc4cc(C(=O)N[C@@H]5CCOC5)cs4)nc(O[C@H]4CCOC4)c32)cn1.Cn1cc(-n2ccc3nc(Cc4cc(C(=O)N[C@H]5CCOC5)cs4)nc(O[C@H]4CCOC4)c32)cn1
InChIInChI=1S/C26H31N7O3S.C26H30N6O3S.C25H28N6O4S.2C24H26N6O4S.C22H24N6O3S/c1-31-7-3-18(4-8-31)28-25(34)17-11-21(37-16-17)12-23-29-22-5-9-33(19-13-27-32(2)14-19)24(22)26(30-23)36-20-6-10-35-15-20;1-31-14-19(13-27-31)32-9-7-22-24(32)26(35-20-8-10-34-15-20)30-23(29-22)12-21-11-17(16-36-21)25(33)28-18-5-3-2-4-6-18;1-30-13-18(12-26-30)31-6-2-21-23(31)25(35-19-5-9-34-14-19)29-22(28-21)11-20-10-16(15-36-20)24(32)27-17-3-7-33-8-4-17;2*1-29-11-17(10-25-29)30-5-2-20-22(30)24(34-18-4-7-33-13-18)28-21(27-20)9-19-8-15(14-35-19)23(31)26-16-3-6-32-12-16;1-26(2)22(29)14-8-17(32-13-14)9-19-24-18-4-6-28(15-10-23-27(3)11-15)20(18)21(25-19)31-16-5-7-30-12-16/h5,9,11,13-14,16,18,20H,3-4,6-8,10,12,15H2,1-2H3,(H,28,34);7,9,11,13-14,16,18,20H,2-6,8,10,12,15H2,1H3,(H,28,33);2,6,10,12-13,15,17,19H,3-5,7-9,11,14H2,1H3,(H,27,32);2*2,5,8,10-11,14,16,18H,3-4,6-7,9,12-13H2,1H3,(H,26,31);4,6,8,10-11,13,16H,5,7,9,12H2,1-3H3/t2*20-;19-;16-,18+;16-,18-;16-/m000100/s1
InChIKeyMQFSAAJFTQULGC-HIBVJXMGSA-N
XLogP17.38
TPSA598.68 Ų
H-Bond Donors5
H-Bond Acceptors58
Rotatable Bonds41
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002978.58
LogP ≤ 517.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1058

Analyze N-cyclohexyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N,N-dimethyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-(1-methylpiperidin-4-yl)-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-N-(oxan-4-yl)thiophene-3-carboxamide;5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-N-[(3S)-oxolan-3-yl]thiophene-3-carboxamide;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 with MolForge

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Related Compounds

N-(2-fluoroethyl)-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]amino]thiophene-3-carboxamide
CID 135129301
N-(2-fluoroethyl)-5-[[5-(1-methylpyrazol-4-yl)-4-[(3R)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]thiophene-3-carboxamide
CID 154827166
5-[[5-(1-methylpyrazol-4-yl)-4-[(3R)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 154827167
N-(2-fluoroethyl)-4-[[5-(1-methylpyrazol-4-yl)-4-[(3R)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]thiophene-2-carboxamide
CID 154827185
N-ethyl-5-[[4-(2-methoxyethoxy)-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-yl]amino]thiophene-3-carboxamide
CID 135129190
N-methyl-4-[[5-(1-methylpyrazol-4-yl)-4-[(3R)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]thiophene-2-carboxamide
CID 135129204
N-ethyl-4-[[5-(1-methylpyrazol-4-yl)-4-[(3R)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]thiophene-2-carboxamide
CID 135129271
N-methyl-4-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]amino]thiophene-2-carboxamide
CID 135129275
N-ethyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3R)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]amino]thiophene-3-carboxamide
CID 135129277
N,N-dimethyl-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]amino]thiophene-3-carboxamide
CID 135129283
N-ethyl-4-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]amino]thiophene-2-carboxamide
CID 135129366
5-[[4-cyclohexyloxy-5-(1-methylpyrazol-4-yl)pyrrolo[3,2-d]pyrimidin-2-yl]amino]-N-methylthiophene-3-carboxamide
CID 154827160

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N,N-dimethyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-(1-methylpiperidin-4-yl)-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-N-(oxan-4-yl)thiophene-3-carboxamide;5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-N-[(3S)-oxolan-3-yl]thiophene-3-carboxamide;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?
The IUPAC name of N-cyclohexyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N,N-dimethyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-(1-methylpiperidin-4-yl)-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-N-(oxan-4-yl)thiophene-3-carboxamide;5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-N-[(3S)-oxolan-3-yl]thiophene-3-carboxamide;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 159640027) is N-cyclohexyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N,N-dimethyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-(1-methylpiperidin-4-yl)-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-N-(oxan-4-yl)thiophene-3-carboxamide;5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-N-[(3S)-oxolan-3-yl]thiophene-3-carboxamide;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.
What is the SMILES notation for N-cyclohexyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N,N-dimethyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-(1-methylpiperidin-4-yl)-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-N-(oxan-4-yl)thiophene-3-carboxamide;5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-N-[(3S)-oxolan-3-yl]thiophene-3-carboxamide;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?
The canonical SMILES for N-cyclohexyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N,N-dimethyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-(1-methylpiperidin-4-yl)-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-N-(oxan-4-yl)thiophene-3-carboxamide;5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-N-[(3S)-oxolan-3-yl]thiophene-3-carboxamide;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 is CN(C)C(=O)c1csc(Cc2nc(O[C@H]3CCOC3)c3c(ccn3-c3cnn(C)c3)n2)c1.CN1CCC(NC(=O)c2csc(Cc3nc(O[C@H]4CCOC4)c4c(ccn4-c4cnn(C)c4)n3)c2)CC1.Cn1cc(-n2ccc3nc(Cc4cc(C(=O)NC5CCCCC5)cs4)nc(O[C@H]4CCOC4)c32)cn1.Cn1cc(-n2ccc3nc(Cc4cc(C(=O)NC5CCOCC5)cs4)nc(O[C@H]4CCOC4)c32)cn1.Cn1cc(-n2ccc3nc(Cc4cc(C(=O)N[C@@H]5CCOC5)cs4)nc(O[C@H]4CCOC4)c32)cn1.Cn1cc(-n2ccc3nc(Cc4cc(C(=O)N[C@H]5CCOC5)cs4)nc(O[C@H]4CCOC4)c32)cn1.
What is the InChIKey of N-cyclohexyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N,N-dimethyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-(1-methylpiperidin-4-yl)-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-N-(oxan-4-yl)thiophene-3-carboxamide;5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-N-[(3S)-oxolan-3-yl]thiophene-3-carboxamide;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?
The InChIKey is MQFSAAJFTQULGC-HIBVJXMGSA-N. The full InChI is InChI=1S/C26H31N7O3S.C26H30N6O3S.C25H28N6O4S.2C24H26N6O4S.C22H24N6O3S/c1-31-7-3-18(4-8-31)28-25(34)17-11-21(37-16-17)12-23-29-22-5-9-33(19-13-27-32(2)14-19)24(22)26(30-23)36-20-6-10-35-15-20;1-31-14-19(13-27-31)32-9-7-22-24(32)26(35-20-8-10-34-15-20)30-23(29-22)12-21-11-17(16-36-21)25(33)28-18-5-3-2-4-6-18;1-30-13-18(12-26-30)31-6-2-21-23(31)25(35-19-5-9-34-14-19)29-22(28-21)11-20-10-16(15-36-20)24(32)27-17-3-7-33-8-4-17;2*1-29-11-17(10-25-29)30-5-2-20-22(30)24(34-18-4-7-33-13-18)28-21(27-20)9-19-8-15(14-35-19)23(31)26-16-3-6-32-12-16;1-26(2)22(29)14-8-17(32-13-14)9-19-24-18-4-6-28(15-10-23-27(3)11-15)20(18)21(25-19)31-16-5-7-30-12-16/h5,9,11,13-14,16,18,20H,3-4,6-8,10,12,15H2,1-2H3,(H,28,34);7,9,11,13-14,16,18,20H,2-6,8,10,12,15H2,1H3,(H,28,33);2,6,10,12-13,15,17,19H,3-5,7-9,11,14H2,1H3,(H,27,32);2*2,5,8,10-11,14,16,18H,3-4,6-7,9,12-13H2,1H3,(H,26,31);4,6,8,10-11,13,16H,5,7,9,12H2,1-3H3/t2*20-;19-;16-,18+;16-,18-;16-/m000100/s1.
What are the key properties of N-cyclohexyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N,N-dimethyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-(1-methylpiperidin-4-yl)-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-N-(oxan-4-yl)thiophene-3-carboxamide;5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-N-[(3S)-oxolan-3-yl]thiophene-3-carboxamide;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?
N-cyclohexyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N,N-dimethyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-(1-methylpiperidin-4-yl)-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-N-(oxan-4-yl)thiophene-3-carboxamide;5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-N-[(3S)-oxolan-3-yl]thiophene-3-carboxamide;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 has a molecular weight of 2978.58 g/mol, XLogP of 17.38, 41 rotatable bonds, 5 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N,N-dimethyl-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;N-(1-methylpiperidin-4-yl)-5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]thiophene-3-carboxamide;5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-N-(oxan-4-yl)thiophene-3-carboxamide;5-[[5-(1-methylpyrazol-4-yl)-4-[(3S)-oxolan-3-yl]oxypyrrolo[3,2-d]pyrimidin-2-yl]methyl]-N-[(3S)-oxolan-3-yl]thiophene-3-carboxamide;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 is sourced from PubChem (CID 159640027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).