N-(2-hydroxyethyl)-3-methoxy-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-4-[[4-(2-methoxyethoxy)-5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-4-[[5-(5-methoxy-3-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide

C74H83N19O14 — CID 158034309

About N-(2-hydroxyethyl)-3-methoxy-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-4-[[4-(2-methoxyethoxy)-5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-4-[[5-(5-methoxy-3-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide

N-(2-hydroxyethyl)-3-methoxy-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-4-[[4-(2-methoxyethoxy)-5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-4-[[5-(5-methoxy-3-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide (PubChem CID 158034309) has the molecular formula C74H83N19O14 and a molecular weight of 1462.60 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3-methoxy-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-4-[[4-(2-methoxyethoxy)-5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-4-[[5-(5-methoxy-3-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide.

Molecular Properties

• Compound Name: N-(2-hydroxyethyl)-3-methoxy-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-4-[[4-(2-methoxyethoxy)-5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-4-[[5-(5-methoxy-3-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide
• PubChem CID: 158034309
• Molecular Formula: C74H83N19O14
• Molecular Weight: 1462.60 g/mol
• Exact Mass: 1461.64
• IUPAC Name: N-(2-hydroxyethyl)-3-methoxy-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-4-[[4-(2-methoxyethoxy)-5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-4-[[5-(5-methoxy-3-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide
• SMILES: CNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(-c4cncc(OC)c4)c[nH]c3n2)c(OC)c1.CNC(=O)c1ccc(Nc2nc(OCCOC)c3c(-c4cnn(C)c4)c[nH]c3n2)c(OC)c1.COc1cc(C(=O)NCCO)ccc1Nc1nc(OC2CCOCC2)c2c(-c3ccn(C)c3)c[nH]c2n1
• InChI: InChI=1S/C26H28N6O5.C26H30N6O5.C22H25N7O4/c1-27-24(33)15-4-5-20(21(11-15)35-3)30-26-31-23-22(25(32-26)37-17-6-8-36-9-7-17)19(14-29-23)16-10-18(34-2)13-28-12-16;1-32-9-5-17(15-32)19-14-28-23-22(19)25(37-18-6-11-36-12-7-18)31-26(30-23)29-20-4-3-16(13-21(20)35-2)24(34)27-8-10-33;1-23-20(30)13-5-6-16(17(9-13)32-4)26-22-27-19-18(21(28-22)33-8-7-31-3)15(11-24-19)14-10-25-29(2)12-14/h4-5,10-14,17H,6-9H2,1-3H3,(H,27,33)(H2,29,30,31,32);3-5,9,13-15,18,33H,6-8,10-12H2,1-2H3,(H,27,34)(H2,28,29,30,31);5-6,9-12H,7-8H2,1-4H3,(H,23,30)(H2,24,26,27,28)
• InChIKey: FHODCWRZKUPEEQ-UHFFFAOYSA-N
• XLogP: 9.19
• TPSA: 396.27 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 26
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1462.60
LogP ≤ 5	9.19
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3-methoxy-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-4-[[4-(2-methoxyethoxy)-5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-4-[[5-(5-methoxy-3-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide?

The IUPAC name of N-(2-hydroxyethyl)-3-methoxy-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-4-[[4-(2-methoxyethoxy)-5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-4-[[5-(5-methoxy-3-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide (CID 158034309) is N-(2-hydroxyethyl)-3-methoxy-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-4-[[4-(2-methoxyethoxy)-5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-4-[[5-(5-methoxy-3-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide.

What is the SMILES notation for N-(2-hydroxyethyl)-3-methoxy-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-4-[[4-(2-methoxyethoxy)-5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-4-[[5-(5-methoxy-3-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide?

The canonical SMILES for N-(2-hydroxyethyl)-3-methoxy-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-4-[[4-(2-methoxyethoxy)-5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-4-[[5-(5-methoxy-3-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide is CNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(-c4cncc(OC)c4)c[nH]c3n2)c(OC)c1.CNC(=O)c1ccc(Nc2nc(OCCOC)c3c(-c4cnn(C)c4)c[nH]c3n2)c(OC)c1.COc1cc(C(=O)NCCO)ccc1Nc1nc(OC2CCOCC2)c2c(-c3ccn(C)c3)c[nH]c2n1.

What is the InChIKey of N-(2-hydroxyethyl)-3-methoxy-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-4-[[4-(2-methoxyethoxy)-5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-4-[[5-(5-methoxy-3-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide?

The InChIKey is FHODCWRZKUPEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O5.C26H30N6O5.C22H25N7O4/c1-27-24(33)15-4-5-20(21(11-15)35-3)30-26-31-23-22(25(32-26)37-17-6-8-36-9-7-17)19(14-29-23)16-10-18(34-2)13-28-12-16;1-32-9-5-17(15-32)19-14-28-23-22(19)25(37-18-6-11-36-12-7-18)31-26(30-23)29-20-4-3-16(13-21(20)35-2)24(34)27-8-10-33;1-23-20(30)13-5-6-16(17(9-13)32-4)26-22-27-19-18(21(28-22)33-8-7-31-3)15(11-24-19)14-10-25-29(2)12-14/h4-5,10-14,17H,6-9H2,1-3H3,(H,27,33)(H2,29,30,31,32);3-5,9,13-15,18,33H,6-8,10-12H2,1-2H3,(H,27,34)(H2,28,29,30,31);5-6,9-12H,7-8H2,1-4H3,(H,23,30)(H2,24,26,27,28).

What are the key properties of N-(2-hydroxyethyl)-3-methoxy-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-4-[[4-(2-methoxyethoxy)-5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-4-[[5-(5-methoxy-3-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide?

N-(2-hydroxyethyl)-3-methoxy-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-4-[[4-(2-methoxyethoxy)-5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-4-[[5-(5-methoxy-3-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide has a molecular weight of 1462.60 g/mol, XLogP of 9.19, 26 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-hydroxyethyl)-3-methoxy-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-4-[[4-(2-methoxyethoxy)-5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-4-[[5-(5-methoxy-3-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide is sourced from PubChem (CID 158034309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).