3-methoxy-4-[[5-(2-methoxy-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;6-methoxy-N-methyl-5-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]pyridine-2-carboxamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide

C76H81N19O13 — CID 158379124

About 3-methoxy-4-[[5-(2-methoxy-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;6-methoxy-N-methyl-5-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]pyridine-2-carboxamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide

3-methoxy-4-[[5-(2-methoxy-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;6-methoxy-N-methyl-5-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]pyridine-2-carboxamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide (PubChem CID 158379124) has the molecular formula C76H81N19O13 and a molecular weight of 1468.60 g/mol. Its IUPAC name is 3-methoxy-4-[[5-(2-methoxy-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;6-methoxy-N-methyl-5-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]pyridine-2-carboxamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide.

Molecular Properties

• Compound Name: 3-methoxy-4-[[5-(2-methoxy-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;6-methoxy-N-methyl-5-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]pyridine-2-carboxamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
• PubChem CID: 158379124
• Molecular Formula: C76H81N19O13
• Molecular Weight: 1468.60 g/mol
• Exact Mass: 1467.63
• IUPAC Name: 3-methoxy-4-[[5-(2-methoxy-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;6-methoxy-N-methyl-5-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]pyridine-2-carboxamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
• SMILES: CNC(=O)c1ccc(Nc2nc(OC(C)C)c3c(-c4ccnc(OC)c4)c[nH]c3n2)c(OC)c1.CNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(-c4ccc5nc(C)oc5c4)c[nH]c3n2)c(OC)n1.CNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(-c4ccn(C)c4)c[nH]c3n2)c(OC)c1
• InChI: InChI=1S/C27H27N7O5.C25H28N6O4.C24H26N6O4/c1-14-30-18-5-4-15(12-21(18)38-14)17-13-29-23-22(17)26(39-16-8-10-37-11-9-16)34-27(33-23)32-20-7-6-19(24(35)28-2)31-25(20)36-3;1-26-23(32)15-4-5-19(20(12-15)33-3)28-25-29-22-21(18(13-27-22)16-6-9-31(2)14-16)24(30-25)35-17-7-10-34-11-8-17;1-13(2)34-23-20-16(14-8-9-26-19(11-14)33-5)12-27-21(20)29-24(30-23)28-17-7-6-15(22(31)25-3)10-18(17)32-4/h4-7,12-13,16H,8-11H2,1-3H3,(H,28,35)(H2,29,32,33,34);4-6,9,12-14,17H,7-8,10-11H2,1-3H3,(H,26,32)(H2,27,28,29,30);6-13H,1-5H3,(H,25,31)(H2,27,28,29,30)
• InChIKey: GVOLZNGBOWOMOB-UHFFFAOYSA-N
• XLogP: 11.70
• TPSA: 387.91 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 22
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1468.60
LogP ≤ 5	11.70
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[[5-(2-methoxy-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;6-methoxy-N-methyl-5-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]pyridine-2-carboxamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide?

The IUPAC name of 3-methoxy-4-[[5-(2-methoxy-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;6-methoxy-N-methyl-5-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]pyridine-2-carboxamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide (CID 158379124) is 3-methoxy-4-[[5-(2-methoxy-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;6-methoxy-N-methyl-5-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]pyridine-2-carboxamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide.

What is the SMILES notation for 3-methoxy-4-[[5-(2-methoxy-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;6-methoxy-N-methyl-5-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]pyridine-2-carboxamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide?

The canonical SMILES for 3-methoxy-4-[[5-(2-methoxy-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;6-methoxy-N-methyl-5-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]pyridine-2-carboxamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide is CNC(=O)c1ccc(Nc2nc(OC(C)C)c3c(-c4ccnc(OC)c4)c[nH]c3n2)c(OC)c1.CNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(-c4ccc5nc(C)oc5c4)c[nH]c3n2)c(OC)n1.CNC(=O)c1ccc(Nc2nc(OC3CCOCC3)c3c(-c4ccn(C)c4)c[nH]c3n2)c(OC)c1.

What is the InChIKey of 3-methoxy-4-[[5-(2-methoxy-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;6-methoxy-N-methyl-5-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]pyridine-2-carboxamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide?

The InChIKey is GVOLZNGBOWOMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N7O5.C25H28N6O4.C24H26N6O4/c1-14-30-18-5-4-15(12-21(18)38-14)17-13-29-23-22(17)26(39-16-8-10-37-11-9-16)34-27(33-23)32-20-7-6-19(24(35)28-2)31-25(20)36-3;1-26-23(32)15-4-5-19(20(12-15)33-3)28-25-29-22-21(18(13-27-22)16-6-9-31(2)14-16)24(30-25)35-17-7-10-34-11-8-17;1-13(2)34-23-20-16(14-8-9-26-19(11-14)33-5)12-27-21(20)29-24(30-23)28-17-7-6-15(22(31)25-3)10-18(17)32-4/h4-7,12-13,16H,8-11H2,1-3H3,(H,28,35)(H2,29,32,33,34);4-6,9,12-14,17H,7-8,10-11H2,1-3H3,(H,26,32)(H2,27,28,29,30);6-13H,1-5H3,(H,25,31)(H2,27,28,29,30).

What are the key properties of 3-methoxy-4-[[5-(2-methoxy-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;6-methoxy-N-methyl-5-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]pyridine-2-carboxamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide?

3-methoxy-4-[[5-(2-methoxy-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;6-methoxy-N-methyl-5-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]pyridine-2-carboxamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide has a molecular weight of 1468.60 g/mol, XLogP of 11.70, 22 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-4-[[5-(2-methoxy-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;6-methoxy-N-methyl-5-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]pyridine-2-carboxamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 158379124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).