4-[4-(2-chloro-5H-pyrrolo[3,4-d]pyrimidin-7-yl)-2-pyridinyl]morpholine;4-[4-[6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-3H-pyrrolo[3,4-c]pyridin-1-yl]-2-pyridinyl]morpholine;2-(1-methylcyclopropyl)oxy-7-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5H-pyrrolo[3,4-b]pyridine;4-[6-[2-(1-methylcyclopropyl)oxy-5H-pyrrolo[3,4-b]pyridin-7-yl]pyrimidin-4-yl]morpholine

C73H81ClN20O6 — CID 159938853

About 4-[4-(2-chloro-5H-pyrrolo[3,4-d]pyrimidin-7-yl)-2-pyridinyl]morpholine;4-[4-[6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-3H-pyrrolo[3,4-c]pyridin-1-yl]-2-pyridinyl]morpholine;2-(1-methylcyclopropyl)oxy-7-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5H-pyrrolo[3,4-b]pyridine;4-[6-[2-(1-methylcyclopropyl)oxy-5H-pyrrolo[3,4-b]pyridin-7-yl]pyrimidin-4-yl]morpholine

4-[4-(2-chloro-5H-pyrrolo[3,4-d]pyrimidin-7-yl)-2-pyridinyl]morpholine;4-[4-[6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-3H-pyrrolo[3,4-c]pyridin-1-yl]-2-pyridinyl]morpholine;2-(1-methylcyclopropyl)oxy-7-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5H-pyrrolo[3,4-b]pyridine;4-[6-[2-(1-methylcyclopropyl)oxy-5H-pyrrolo[3,4-b]pyridin-7-yl]pyrimidin-4-yl]morpholine (PubChem CID 159938853) has the molecular formula C73H81ClN20O6 and a molecular weight of 1377.08 g/mol. Its IUPAC name is 4-[4-(2-chloro-5H-pyrrolo[3,4-d]pyrimidin-7-yl)-2-pyridinyl]morpholine;4-[4-[6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-3H-pyrrolo[3,4-c]pyridin-1-yl]-2-pyridinyl]morpholine;2-(1-methylcyclopropyl)oxy-7-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5H-pyrrolo[3,4-b]pyridine;4-[6-[2-(1-methylcyclopropyl)oxy-5H-pyrrolo[3,4-b]pyridin-7-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

• Compound Name: 4-[4-(2-chloro-5H-pyrrolo[3,4-d]pyrimidin-7-yl)-2-pyridinyl]morpholine;4-[4-[6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-3H-pyrrolo[3,4-c]pyridin-1-yl]-2-pyridinyl]morpholine;2-(1-methylcyclopropyl)oxy-7-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5H-pyrrolo[3,4-b]pyridine;4-[6-[2-(1-methylcyclopropyl)oxy-5H-pyrrolo[3,4-b]pyridin-7-yl]pyrimidin-4-yl]morpholine
• PubChem CID: 159938853
• Molecular Formula: C73H81ClN20O6
• Molecular Weight: 1377.08 g/mol
• Exact Mass: 1375.68
• IUPAC Name: 4-[4-(2-chloro-5H-pyrrolo[3,4-d]pyrimidin-7-yl)-2-pyridinyl]morpholine;4-[4-[6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-3H-pyrrolo[3,4-c]pyridin-1-yl]-2-pyridinyl]morpholine;2-(1-methylcyclopropyl)oxy-7-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5H-pyrrolo[3,4-b]pyridine;4-[6-[2-(1-methylcyclopropyl)oxy-5H-pyrrolo[3,4-b]pyridin-7-yl]pyrimidin-4-yl]morpholine
• SMILES: CC1(Oc2ccc3c(n2)C(c2cc(N4CCOCC4)ncn2)=NC3)CC1.CN1CCN(c2cc(C3=NCc4ccc(OC5(C)CC5)nc43)ncn2)CC1.Clc1ncc2c(n1)C(c1ccnc(N3CCOCC3)c1)=NC2.[2H]C([2H])([2H])C([2H])(Oc1cc2c(cn1)CN=C2c1ccnc(N2CCOCC2)c1)C([2H])([2H])[2H]
• InChI: InChI=1S/C20H24N6O.C19H21N5O2.C19H22N4O2.C15H14ClN5O/c1-20(5-6-20)27-17-4-3-14-12-21-19(18(14)24-17)15-11-16(23-13-22-15)26-9-7-25(2)8-10-26;1-19(4-5-19)26-16-3-2-13-11-20-18(17(13)23-16)14-10-15(22-12-21-14)24-6-8-25-9-7-24;1-13(2)25-18-10-16-15(11-21-18)12-22-19(16)14-3-4-20-17(9-14)23-5-7-24-8-6-23;16-15-19-9-11-8-18-13(14(11)20-15)10-1-2-17-12(7-10)21-3-5-22-6-4-21/h3-4,11,13H,5-10,12H2,1-2H3;2-3,10,12H,4-9,11H2,1H3;3-4,9-11,13H,5-8,12H2,1-2H3;1-2,7,9H,3-6,8H2/i;;1D3,2D3,13D
• InChIKey: OAPMZXGLCYNTKT-CBYUAXDPSA-N
• XLogP: 8.06
• TPSA: 262.81 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 16
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1377.08
LogP ≤ 5	8.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-chloro-5H-pyrrolo[3,4-d]pyrimidin-7-yl)-2-pyridinyl]morpholine;4-[4-[6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-3H-pyrrolo[3,4-c]pyridin-1-yl]-2-pyridinyl]morpholine;2-(1-methylcyclopropyl)oxy-7-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5H-pyrrolo[3,4-b]pyridine;4-[6-[2-(1-methylcyclopropyl)oxy-5H-pyrrolo[3,4-b]pyridin-7-yl]pyrimidin-4-yl]morpholine?

The IUPAC name of 4-[4-(2-chloro-5H-pyrrolo[3,4-d]pyrimidin-7-yl)-2-pyridinyl]morpholine;4-[4-[6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-3H-pyrrolo[3,4-c]pyridin-1-yl]-2-pyridinyl]morpholine;2-(1-methylcyclopropyl)oxy-7-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5H-pyrrolo[3,4-b]pyridine;4-[6-[2-(1-methylcyclopropyl)oxy-5H-pyrrolo[3,4-b]pyridin-7-yl]pyrimidin-4-yl]morpholine (CID 159938853) is 4-[4-(2-chloro-5H-pyrrolo[3,4-d]pyrimidin-7-yl)-2-pyridinyl]morpholine;4-[4-[6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-3H-pyrrolo[3,4-c]pyridin-1-yl]-2-pyridinyl]morpholine;2-(1-methylcyclopropyl)oxy-7-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5H-pyrrolo[3,4-b]pyridine;4-[6-[2-(1-methylcyclopropyl)oxy-5H-pyrrolo[3,4-b]pyridin-7-yl]pyrimidin-4-yl]morpholine.

What is the SMILES notation for 4-[4-(2-chloro-5H-pyrrolo[3,4-d]pyrimidin-7-yl)-2-pyridinyl]morpholine;4-[4-[6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-3H-pyrrolo[3,4-c]pyridin-1-yl]-2-pyridinyl]morpholine;2-(1-methylcyclopropyl)oxy-7-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5H-pyrrolo[3,4-b]pyridine;4-[6-[2-(1-methylcyclopropyl)oxy-5H-pyrrolo[3,4-b]pyridin-7-yl]pyrimidin-4-yl]morpholine?

The canonical SMILES for 4-[4-(2-chloro-5H-pyrrolo[3,4-d]pyrimidin-7-yl)-2-pyridinyl]morpholine;4-[4-[6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-3H-pyrrolo[3,4-c]pyridin-1-yl]-2-pyridinyl]morpholine;2-(1-methylcyclopropyl)oxy-7-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5H-pyrrolo[3,4-b]pyridine;4-[6-[2-(1-methylcyclopropyl)oxy-5H-pyrrolo[3,4-b]pyridin-7-yl]pyrimidin-4-yl]morpholine is CC1(Oc2ccc3c(n2)C(c2cc(N4CCOCC4)ncn2)=NC3)CC1.CN1CCN(c2cc(C3=NCc4ccc(OC5(C)CC5)nc43)ncn2)CC1.Clc1ncc2c(n1)C(c1ccnc(N3CCOCC3)c1)=NC2.[2H]C([2H])([2H])C([2H])(Oc1cc2c(cn1)CN=C2c1ccnc(N2CCOCC2)c1)C([2H])([2H])[2H].

What is the InChIKey of 4-[4-(2-chloro-5H-pyrrolo[3,4-d]pyrimidin-7-yl)-2-pyridinyl]morpholine;4-[4-[6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-3H-pyrrolo[3,4-c]pyridin-1-yl]-2-pyridinyl]morpholine;2-(1-methylcyclopropyl)oxy-7-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5H-pyrrolo[3,4-b]pyridine;4-[6-[2-(1-methylcyclopropyl)oxy-5H-pyrrolo[3,4-b]pyridin-7-yl]pyrimidin-4-yl]morpholine?

The InChIKey is OAPMZXGLCYNTKT-CBYUAXDPSA-N. The full InChI is InChI=1S/C20H24N6O.C19H21N5O2.C19H22N4O2.C15H14ClN5O/c1-20(5-6-20)27-17-4-3-14-12-21-19(18(14)24-17)15-11-16(23-13-22-15)26-9-7-25(2)8-10-26;1-19(4-5-19)26-16-3-2-13-11-20-18(17(13)23-16)14-10-15(22-12-21-14)24-6-8-25-9-7-24;1-13(2)25-18-10-16-15(11-21-18)12-22-19(16)14-3-4-20-17(9-14)23-5-7-24-8-6-23;16-15-19-9-11-8-18-13(14(11)20-15)10-1-2-17-12(7-10)21-3-5-22-6-4-21/h3-4,11,13H,5-10,12H2,1-2H3;2-3,10,12H,4-9,11H2,1H3;3-4,9-11,13H,5-8,12H2,1-2H3;1-2,7,9H,3-6,8H2/i;;1D3,2D3,13D;.

What are the key properties of 4-[4-(2-chloro-5H-pyrrolo[3,4-d]pyrimidin-7-yl)-2-pyridinyl]morpholine;4-[4-[6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-3H-pyrrolo[3,4-c]pyridin-1-yl]-2-pyridinyl]morpholine;2-(1-methylcyclopropyl)oxy-7-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5H-pyrrolo[3,4-b]pyridine;4-[6-[2-(1-methylcyclopropyl)oxy-5H-pyrrolo[3,4-b]pyridin-7-yl]pyrimidin-4-yl]morpholine?

4-[4-(2-chloro-5H-pyrrolo[3,4-d]pyrimidin-7-yl)-2-pyridinyl]morpholine;4-[4-[6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-3H-pyrrolo[3,4-c]pyridin-1-yl]-2-pyridinyl]morpholine;2-(1-methylcyclopropyl)oxy-7-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5H-pyrrolo[3,4-b]pyridine;4-[6-[2-(1-methylcyclopropyl)oxy-5H-pyrrolo[3,4-b]pyridin-7-yl]pyrimidin-4-yl]morpholine has a molecular weight of 1377.08 g/mol, XLogP of 8.06, 16 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(2-chloro-5H-pyrrolo[3,4-d]pyrimidin-7-yl)-2-pyridinyl]morpholine;4-[4-[6-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yloxy)-3H-pyrrolo[3,4-c]pyridin-1-yl]-2-pyridinyl]morpholine;2-(1-methylcyclopropyl)oxy-7-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-5H-pyrrolo[3,4-b]pyridine;4-[6-[2-(1-methylcyclopropyl)oxy-5H-pyrrolo[3,4-b]pyridin-7-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 159938853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).