dimethylamino-[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]methanol

C24H34N6O4 — CID 139398050

About dimethylamino-[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]methanol

dimethylamino-[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]methanol (PubChem CID 139398050) has the molecular formula C24H34N6O4 and a molecular weight of 470.57 g/mol. Its IUPAC name is dimethylamino-[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]methanol.

Molecular Properties

• Compound Name: dimethylamino-[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]methanol
• PubChem CID: 139398050
• Molecular Formula: C24H34N6O4
• Molecular Weight: 470.57 g/mol
• Exact Mass: 470.26
• IUPAC Name: dimethylamino-[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]methanol
• SMILES: COC[C@@H](C)Oc1nc(C(O)N(C)C)cc(N2CCC(c3c[nH]c4nccc(OC)c34)CC2)n1
• InChI: InChI=1S/C24H34N6O4/c1-15(14-32-4)34-24-27-18(23(31)29(2)3)12-20(28-24)30-10-7-16(8-11-30)17-13-26-22-21(17)19(33-5)6-9-25-22/h6,9,12-13,15-16,23,31H,7-8,10-11,14H2,1-5H3,(H,25,26)/t15-,23?/m1/s1
• InChIKey: RKWKVQLYBDTSJR-NKTHEXPSSA-N
• XLogP: 2.71
• TPSA: 108.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.57
LogP ≤ 5	2.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dimethylamino-[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]methanol?

The IUPAC name of dimethylamino-[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]methanol (CID 139398050) is dimethylamino-[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]methanol.

What is the SMILES notation for dimethylamino-[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]methanol?

The canonical SMILES for dimethylamino-[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]methanol is COC[C@@H](C)Oc1nc(C(O)N(C)C)cc(N2CCC(c3c[nH]c4nccc(OC)c34)CC2)n1.

What is the InChIKey of dimethylamino-[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]methanol?

The InChIKey is RKWKVQLYBDTSJR-NKTHEXPSSA-N. The full InChI is InChI=1S/C24H34N6O4/c1-15(14-32-4)34-24-27-18(23(31)29(2)3)12-20(28-24)30-10-7-16(8-11-30)17-13-26-22-21(17)19(33-5)6-9-25-22/h6,9,12-13,15-16,23,31H,7-8,10-11,14H2,1-5H3,(H,25,26)/t15-,23?/m1/s1.

What are the key properties of dimethylamino-[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]methanol?

dimethylamino-[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]methanol has a molecular weight of 470.57 g/mol, XLogP of 2.71, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for dimethylamino-[2-[(2R)-1-methoxypropan-2-yl]oxy-6-[4-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]pyrimidin-4-yl]methanol is sourced from PubChem (CID 139398050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).