2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-2-methylpropan-1-ol;2-[6-chloro-4-(pyridin-4-ylmethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol;6-chloro-N-(pyridin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;6-chloro-N-(pyrimidin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C49H47Cl4N23O3 — CID 158027292

About 2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-2-methylpropan-1-ol;2-[6-chloro-4-(pyridin-4-ylmethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol;6-chloro-N-(pyridin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;6-chloro-N-(pyrimidin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine

2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-2-methylpropan-1-ol;2-[6-chloro-4-(pyridin-4-ylmethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol;6-chloro-N-(pyridin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;6-chloro-N-(pyrimidin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 158027292) has the molecular formula C49H47Cl4N23O3 and a molecular weight of 1147.88 g/mol. Its IUPAC name is 2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-2-methylpropan-1-ol;2-[6-chloro-4-(pyridin-4-ylmethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol;6-chloro-N-(pyridin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;6-chloro-N-(pyrimidin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

• Compound Name: 2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-2-methylpropan-1-ol;2-[6-chloro-4-(pyridin-4-ylmethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol;6-chloro-N-(pyridin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;6-chloro-N-(pyrimidin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
• PubChem CID: 158027292
• Molecular Formula: C49H47Cl4N23O3
• Molecular Weight: 1147.88 g/mol
• Exact Mass: 1145.30
• IUPAC Name: 2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-2-methylpropan-1-ol;2-[6-chloro-4-(pyridin-4-ylmethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol;6-chloro-N-(pyridin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;6-chloro-N-(pyrimidin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
• SMILES: CC(C)(CO)n1ccc2c(NCc3ccco3)nc(Cl)nc21.Clc1nc(NCc2ccncc2)c2cn[nH]c2n1.Clc1nc(NCc2ccncn2)c2cn[nH]c2n1.OCCn1ncc2c(NCc3ccncc3)nc(Cl)nc21
• InChI: InChI=1S/C15H17ClN4O2.C13H13ClN6O.C11H9ClN6.C10H8ClN7/c1-15(2,9-21)20-6-5-11-12(18-14(16)19-13(11)20)17-8-10-4-3-7-22-10;14-13-18-11(16-7-9-1-3-15-4-2-9)10-8-17-20(5-6-21)12(10)19-13;12-11-16-9(8-6-15-18-10(8)17-11)14-5-7-1-3-13-4-2-7;11-10-16-8(7-4-15-18-9(7)17-10)13-3-6-1-2-12-5-14-6/h3-7,21H,8-9H2,1-2H3,(H,17,18,19);1-4,8,21H,5-7H2,(H,16,18,19);1-4,6H,5H2,(H2,14,15,16,17,18);1-2,4-5H,3H2,(H2,13,15,16,17,18)
• InChIKey: FGTFTEDAJXOHHQ-UHFFFAOYSA-N
• XLogP: 7.92
• TPSA: 336.51 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1147.88
LogP ≤ 5	7.92
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-2-methylpropan-1-ol;2-[6-chloro-4-(pyridin-4-ylmethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol;6-chloro-N-(pyridin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;6-chloro-N-(pyrimidin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?

The IUPAC name of 2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-2-methylpropan-1-ol;2-[6-chloro-4-(pyridin-4-ylmethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol;6-chloro-N-(pyridin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;6-chloro-N-(pyrimidin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 158027292) is 2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-2-methylpropan-1-ol;2-[6-chloro-4-(pyridin-4-ylmethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol;6-chloro-N-(pyridin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;6-chloro-N-(pyrimidin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

What is the SMILES notation for 2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-2-methylpropan-1-ol;2-[6-chloro-4-(pyridin-4-ylmethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol;6-chloro-N-(pyridin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;6-chloro-N-(pyrimidin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?

The canonical SMILES for 2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-2-methylpropan-1-ol;2-[6-chloro-4-(pyridin-4-ylmethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol;6-chloro-N-(pyridin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;6-chloro-N-(pyrimidin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is CC(C)(CO)n1ccc2c(NCc3ccco3)nc(Cl)nc21.Clc1nc(NCc2ccncc2)c2cn[nH]c2n1.Clc1nc(NCc2ccncn2)c2cn[nH]c2n1.OCCn1ncc2c(NCc3ccncc3)nc(Cl)nc21.

What is the InChIKey of 2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-2-methylpropan-1-ol;2-[6-chloro-4-(pyridin-4-ylmethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol;6-chloro-N-(pyridin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;6-chloro-N-(pyrimidin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?

The InChIKey is FGTFTEDAJXOHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2.C13H13ClN6O.C11H9ClN6.C10H8ClN7/c1-15(2,9-21)20-6-5-11-12(18-14(16)19-13(11)20)17-8-10-4-3-7-22-10;14-13-18-11(16-7-9-1-3-15-4-2-9)10-8-17-20(5-6-21)12(10)19-13;12-11-16-9(8-6-15-18-10(8)17-11)14-5-7-1-3-13-4-2-7;11-10-16-8(7-4-15-18-9(7)17-10)13-3-6-1-2-12-5-14-6/h3-7,21H,8-9H2,1-2H3,(H,17,18,19);1-4,8,21H,5-7H2,(H,16,18,19);1-4,6H,5H2,(H2,14,15,16,17,18);1-2,4-5H,3H2,(H2,13,15,16,17,18).

What are the key properties of 2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-2-methylpropan-1-ol;2-[6-chloro-4-(pyridin-4-ylmethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol;6-chloro-N-(pyridin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;6-chloro-N-(pyrimidin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine?

2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-2-methylpropan-1-ol;2-[6-chloro-4-(pyridin-4-ylmethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol;6-chloro-N-(pyridin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;6-chloro-N-(pyrimidin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 1147.88 g/mol, XLogP of 7.92, 16 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-chloro-4-(furan-2-ylmethylamino)pyrrolo[2,3-d]pyrimidin-7-yl]-2-methylpropan-1-ol;2-[6-chloro-4-(pyridin-4-ylmethylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethanol;6-chloro-N-(pyridin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine;6-chloro-N-(pyrimidin-4-ylmethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 158027292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).