4-[[5-(2-chloro-4-pyridinyl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(oxetan-3-yl)benzamide;N-(1,3-dimethylpyrazol-4-yl)-4-methoxy-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-methoxy-4-[(4-methoxy-5-pyrimidin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-(oxetan-3-yl)benzamide;4-[(4-methoxy-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methyl-N-(oxetan-3-yl)benzamide;4-[[4-methoxy-5-[4-(3H-pyrrol-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N,3-trimethylbenzamide

C112H107ClN32O14 — CID 157191961

About 4-[[5-(2-chloro-4-pyridinyl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(oxetan-3-yl)benzamide;N-(1,3-dimethylpyrazol-4-yl)-4-methoxy-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-methoxy-4-[(4-methoxy-5-pyrimidin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-(oxetan-3-yl)benzamide;4-[(4-methoxy-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methyl-N-(oxetan-3-yl)benzamide;4-[[4-methoxy-5-[4-(3H-pyrrol-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N,3-trimethylbenzamide

4-[[5-(2-chloro-4-pyridinyl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(oxetan-3-yl)benzamide;N-(1,3-dimethylpyrazol-4-yl)-4-methoxy-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-methoxy-4-[(4-methoxy-5-pyrimidin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-(oxetan-3-yl)benzamide;4-[(4-methoxy-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methyl-N-(oxetan-3-yl)benzamide;4-[[4-methoxy-5-[4-(3H-pyrrol-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N,3-trimethylbenzamide (PubChem CID 157191961) has the molecular formula C112H107ClN32O14 and a molecular weight of 2160.75 g/mol. Its IUPAC name is 4-[[5-(2-chloro-4-pyridinyl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(oxetan-3-yl)benzamide;N-(1,3-dimethylpyrazol-4-yl)-4-methoxy-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-methoxy-4-[(4-methoxy-5-pyrimidin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-(oxetan-3-yl)benzamide;4-[(4-methoxy-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methyl-N-(oxetan-3-yl)benzamide;4-[[4-methoxy-5-[4-(3H-pyrrol-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N,3-trimethylbenzamide.

Molecular Properties

• Compound Name: 4-[[5-(2-chloro-4-pyridinyl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(oxetan-3-yl)benzamide;N-(1,3-dimethylpyrazol-4-yl)-4-methoxy-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-methoxy-4-[(4-methoxy-5-pyrimidin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-(oxetan-3-yl)benzamide;4-[(4-methoxy-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methyl-N-(oxetan-3-yl)benzamide;4-[[4-methoxy-5-[4-(3H-pyrrol-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N,3-trimethylbenzamide
• PubChem CID: 157191961
• Molecular Formula: C112H107ClN32O14
• Molecular Weight: 2160.75 g/mol
• Exact Mass: 2158.83
• IUPAC Name: 4-[[5-(2-chloro-4-pyridinyl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(oxetan-3-yl)benzamide;N-(1,3-dimethylpyrazol-4-yl)-4-methoxy-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-methoxy-4-[(4-methoxy-5-pyrimidin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-(oxetan-3-yl)benzamide;4-[(4-methoxy-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methyl-N-(oxetan-3-yl)benzamide;4-[[4-methoxy-5-[4-(3H-pyrrol-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N,3-trimethylbenzamide
• SMILES: COc1cc(C(=O)NC2COC2)ccc1Nc1nc(OC)c2c(-c3ccnc(Cl)c3)c[nH]c2n1.COc1cc(C(=O)NC2COC2)ccc1Nc1nc(OC)c2c(-c3ccncn3)c[nH]c2n1.COc1nc(Nc2ccc(C(=O)N(C)C)cc2C)nc2[nH]cc(-c3ccc(C4=NC=CC4)cc3)c12.COc1nc(Nc2ccc(C(=O)NC3COC3)cc2C)nc2[nH]cc(-c3ccncc3)c12.COc1nc(Nc2cn(C)nc2C)nc2[nH]cc(-c3ccncc3)c12
• InChI: InChI=1S/C27H26N6O2.C23H21ClN6O4.C23H22N6O3.C22H21N7O4.C17H17N7O/c1-16-14-19(26(34)33(2)3)11-12-21(16)30-27-31-24-23(25(32-27)35-4)20(15-29-24)17-7-9-18(10-8-17)22-6-5-13-28-22;1-32-17-7-13(21(31)27-14-10-34-11-14)3-4-16(17)28-23-29-20-19(22(30-23)33-2)15(9-26-20)12-5-6-25-18(24)8-12;1-13-9-15(21(30)26-16-11-32-12-16)3-4-18(13)27-23-28-20-19(22(29-23)31-2)17(10-25-20)14-5-7-24-8-6-14;1-31-17-7-12(20(30)26-13-9-33-10-13)3-4-16(17)27-22-28-19-18(21(29-22)32-2)14(8-24-19)15-5-6-23-11-25-15;1-10-13(9-24(2)23-10)20-17-21-15-14(16(22-17)25-3)12(8-19-15)11-4-6-18-7-5-11/h5,7-15H,6H2,1-4H3,(H2,29,30,31,32);3-9,14H,10-11H2,1-2H3,(H,27,31)(H2,26,28,29,30);3-10,16H,11-12H2,1-2H3,(H,26,30)(H2,25,27,28,29);3-8,11,13H,9-10H2,1-2H3,(H,26,30)(H2,24,27,28,29);4-9H,1-3H3,(H2,19,20,21,22)
• InChIKey: APUMTMWDRWREKD-UHFFFAOYSA-N
• XLogP: 16.98
• TPSA: 562.54 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 37
• Rotatable Bonds: 30
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2160.75
LogP ≤ 5	16.98
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2-chloro-4-pyridinyl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(oxetan-3-yl)benzamide;N-(1,3-dimethylpyrazol-4-yl)-4-methoxy-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-methoxy-4-[(4-methoxy-5-pyrimidin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-(oxetan-3-yl)benzamide;4-[(4-methoxy-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methyl-N-(oxetan-3-yl)benzamide;4-[[4-methoxy-5-[4-(3H-pyrrol-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N,3-trimethylbenzamide?

The IUPAC name of 4-[[5-(2-chloro-4-pyridinyl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(oxetan-3-yl)benzamide;N-(1,3-dimethylpyrazol-4-yl)-4-methoxy-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-methoxy-4-[(4-methoxy-5-pyrimidin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-(oxetan-3-yl)benzamide;4-[(4-methoxy-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methyl-N-(oxetan-3-yl)benzamide;4-[[4-methoxy-5-[4-(3H-pyrrol-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N,3-trimethylbenzamide (CID 157191961) is 4-[[5-(2-chloro-4-pyridinyl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(oxetan-3-yl)benzamide;N-(1,3-dimethylpyrazol-4-yl)-4-methoxy-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-methoxy-4-[(4-methoxy-5-pyrimidin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-(oxetan-3-yl)benzamide;4-[(4-methoxy-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methyl-N-(oxetan-3-yl)benzamide;4-[[4-methoxy-5-[4-(3H-pyrrol-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N,3-trimethylbenzamide.

What is the SMILES notation for 4-[[5-(2-chloro-4-pyridinyl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(oxetan-3-yl)benzamide;N-(1,3-dimethylpyrazol-4-yl)-4-methoxy-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-methoxy-4-[(4-methoxy-5-pyrimidin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-(oxetan-3-yl)benzamide;4-[(4-methoxy-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methyl-N-(oxetan-3-yl)benzamide;4-[[4-methoxy-5-[4-(3H-pyrrol-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N,3-trimethylbenzamide?

The canonical SMILES for 4-[[5-(2-chloro-4-pyridinyl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(oxetan-3-yl)benzamide;N-(1,3-dimethylpyrazol-4-yl)-4-methoxy-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-methoxy-4-[(4-methoxy-5-pyrimidin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-(oxetan-3-yl)benzamide;4-[(4-methoxy-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methyl-N-(oxetan-3-yl)benzamide;4-[[4-methoxy-5-[4-(3H-pyrrol-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N,3-trimethylbenzamide is COc1cc(C(=O)NC2COC2)ccc1Nc1nc(OC)c2c(-c3ccnc(Cl)c3)c[nH]c2n1.COc1cc(C(=O)NC2COC2)ccc1Nc1nc(OC)c2c(-c3ccncn3)c[nH]c2n1.COc1nc(Nc2ccc(C(=O)N(C)C)cc2C)nc2[nH]cc(-c3ccc(C4=NC=CC4)cc3)c12.COc1nc(Nc2ccc(C(=O)NC3COC3)cc2C)nc2[nH]cc(-c3ccncc3)c12.COc1nc(Nc2cn(C)nc2C)nc2[nH]cc(-c3ccncc3)c12.

What is the InChIKey of 4-[[5-(2-chloro-4-pyridinyl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(oxetan-3-yl)benzamide;N-(1,3-dimethylpyrazol-4-yl)-4-methoxy-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-methoxy-4-[(4-methoxy-5-pyrimidin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-(oxetan-3-yl)benzamide;4-[(4-methoxy-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methyl-N-(oxetan-3-yl)benzamide;4-[[4-methoxy-5-[4-(3H-pyrrol-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N,3-trimethylbenzamide?

The InChIKey is APUMTMWDRWREKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2.C23H21ClN6O4.C23H22N6O3.C22H21N7O4.C17H17N7O/c1-16-14-19(26(34)33(2)3)11-12-21(16)30-27-31-24-23(25(32-27)35-4)20(15-29-24)17-7-9-18(10-8-17)22-6-5-13-28-22;1-32-17-7-13(21(31)27-14-10-34-11-14)3-4-16(17)28-23-29-20-19(22(30-23)33-2)15(9-26-20)12-5-6-25-18(24)8-12;1-13-9-15(21(30)26-16-11-32-12-16)3-4-18(13)27-23-28-20-19(22(29-23)31-2)17(10-25-20)14-5-7-24-8-6-14;1-31-17-7-12(20(30)26-13-9-33-10-13)3-4-16(17)27-22-28-19-18(21(29-22)32-2)14(8-24-19)15-5-6-23-11-25-15;1-10-13(9-24(2)23-10)20-17-21-15-14(16(22-17)25-3)12(8-19-15)11-4-6-18-7-5-11/h5,7-15H,6H2,1-4H3,(H2,29,30,31,32);3-9,14H,10-11H2,1-2H3,(H,27,31)(H2,26,28,29,30);3-10,16H,11-12H2,1-2H3,(H,26,30)(H2,25,27,28,29);3-8,11,13H,9-10H2,1-2H3,(H,26,30)(H2,24,27,28,29);4-9H,1-3H3,(H2,19,20,21,22).

What are the key properties of 4-[[5-(2-chloro-4-pyridinyl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(oxetan-3-yl)benzamide;N-(1,3-dimethylpyrazol-4-yl)-4-methoxy-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-methoxy-4-[(4-methoxy-5-pyrimidin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-(oxetan-3-yl)benzamide;4-[(4-methoxy-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methyl-N-(oxetan-3-yl)benzamide;4-[[4-methoxy-5-[4-(3H-pyrrol-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N,3-trimethylbenzamide?

4-[[5-(2-chloro-4-pyridinyl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(oxetan-3-yl)benzamide;N-(1,3-dimethylpyrazol-4-yl)-4-methoxy-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-methoxy-4-[(4-methoxy-5-pyrimidin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-(oxetan-3-yl)benzamide;4-[(4-methoxy-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methyl-N-(oxetan-3-yl)benzamide;4-[[4-methoxy-5-[4-(3H-pyrrol-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N,3-trimethylbenzamide has a molecular weight of 2160.75 g/mol, XLogP of 16.98, 30 rotatable bonds, 13 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-(2-chloro-4-pyridinyl)-4-methoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(oxetan-3-yl)benzamide;N-(1,3-dimethylpyrazol-4-yl)-4-methoxy-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-amine;3-methoxy-4-[(4-methoxy-5-pyrimidin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-N-(oxetan-3-yl)benzamide;4-[(4-methoxy-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methyl-N-(oxetan-3-yl)benzamide;4-[[4-methoxy-5-[4-(3H-pyrrol-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N,3-trimethylbenzamide is sourced from PubChem (CID 157191961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).