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-(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-[(3R)-oxolan-3-yl]thiophene-3-carboxamide

C76H87N19O10S3 — CID 158668813

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-(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-[(3R)-oxolan-3-yl]thiophene-3-carboxamide
SMILESCN1CCC(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)N[C@@H]5CCOC5)cs4)nc(O[C@H]4CCOC4)c32)cn1
InChIInChI=1S/C26H31N7O3S.C26H30N6O3S.C24H26N6O4S/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;1-29-11-17(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/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);2,5,8,10-11,14,16,18H,3-4,6-7,9,12-13H2,1H3,(H,26,31)/t2*20-;16-,18+/m001/s1
InChIKeyIDRSWZACRSINGU-YITFXPGDSA-N
MW1522.86 g/mol
LogP9.33
Rot. Bonds21

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-(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-[(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-(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-[(3R)-oxolan-3-yl]thiophene-3-carboxamide (PubChem CID 158668813) has the molecular formula C76H87N19O10S3 and a molecular weight of 1522.86 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-(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-[(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-(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-[(3R)-oxolan-3-yl]thiophene-3-carboxamide
PubChem CID158668813
Molecular FormulaC76H87N19O10S3
Molecular Weight1522.86 g/mol
Exact Mass1521.60
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-(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-[(3R)-oxolan-3-yl]thiophene-3-carboxamide
SMILESCN1CCC(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)N[C@@H]5CCOC5)cs4)nc(O[C@H]4CCOC4)c32)cn1
InChIInChI=1S/C26H31N7O3S.C26H30N6O3S.C24H26N6O4S/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;1-29-11-17(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/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);2,5,8,10-11,14,16,18H,3-4,6-7,9,12-13H2,1H3,(H,26,31)/t2*20-;16-,18+/m001/s1
InChIKeyIDRSWZACRSINGU-YITFXPGDSA-N
XLogP9.33
TPSA300.74 Ų
H-Bond Donors3
H-Bond Acceptors29
Rotatable Bonds21
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001522.86
LogP ≤ 59.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1029

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-(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-[(3R)-oxolan-3-yl]thiophene-3-carboxamide with MolForge

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Related Compounds

N-(2,2-difluoroethyl)-5-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]amino]thiophene-3-carboxamide
CID 135129300
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,N-dimethyl-4-[[5-(1-methylpyrazol-4-yl)-4-(oxan-4-yloxy)pyrrolo[3,2-d]pyrimidin-2-yl]amino]thiophene-2-carboxamide
CID 135129310

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-(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-[(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-(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-[(3R)-oxolan-3-yl]thiophene-3-carboxamide (CID 158668813) 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-(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-[(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-(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-[(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-(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-[(3R)-oxolan-3-yl]thiophene-3-carboxamide is 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)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-(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-[(3R)-oxolan-3-yl]thiophene-3-carboxamide?
The InChIKey is IDRSWZACRSINGU-YITFXPGDSA-N. The full InChI is InChI=1S/C26H31N7O3S.C26H30N6O3S.C24H26N6O4S/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;1-29-11-17(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/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);2,5,8,10-11,14,16,18H,3-4,6-7,9,12-13H2,1H3,(H,26,31)/t2*20-;16-,18+/m001/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-(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-[(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-(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-[(3R)-oxolan-3-yl]thiophene-3-carboxamide has a molecular weight of 1522.86 g/mol, XLogP of 9.33, 21 rotatable bonds, 3 hydrogen bond donors, and 29 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-(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-[(3R)-oxolan-3-yl]thiophene-3-carboxamide is sourced from PubChem (CID 158668813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).