1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;6-propan-2-yloxy-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridine;1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]pyrrolidin-3-ol;4-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]-1,4-thiazepane 1-oxide;6-propan-2-yloxy-1-[6-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-yl]-3H-pyrrolo[3,4-c]pyridine

C102H119N29O7S — CID 158555509

About 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;6-propan-2-yloxy-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridine;1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]pyrrolidin-3-ol;4-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]-1,4-thiazepane 1-oxide;6-propan-2-yloxy-1-[6-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-yl]-3H-pyrrolo[3,4-c]pyridine

1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;6-propan-2-yloxy-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridine;1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]pyrrolidin-3-ol;4-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]-1,4-thiazepane 1-oxide;6-propan-2-yloxy-1-[6-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-yl]-3H-pyrrolo[3,4-c]pyridine (PubChem CID 158555509) has the molecular formula C102H119N29O7S and a molecular weight of 1895.34 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;6-propan-2-yloxy-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridine;1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]pyrrolidin-3-ol;4-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]-1,4-thiazepane 1-oxide;6-propan-2-yloxy-1-[6-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-yl]-3H-pyrrolo[3,4-c]pyridine.

Molecular Properties

• Compound Name: 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;6-propan-2-yloxy-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridine;1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]pyrrolidin-3-ol;4-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]-1,4-thiazepane 1-oxide;6-propan-2-yloxy-1-[6-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-yl]-3H-pyrrolo[3,4-c]pyridine
• PubChem CID: 158555509
• Molecular Formula: C102H119N29O7S
• Molecular Weight: 1895.34 g/mol
• Exact Mass: 1893.96
• IUPAC Name: 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;6-propan-2-yloxy-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridine;1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]pyrrolidin-3-ol;4-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]-1,4-thiazepane 1-oxide;6-propan-2-yloxy-1-[6-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-yl]-3H-pyrrolo[3,4-c]pyridine
• SMILES: CC(C)Oc1cc2c(cn1)CN=C2c1cc(N2CCC(n3cncn3)CC2)ncn1.CC(C)Oc1cc2c(cn1)CN=C2c1cc(N2CCCS(=O)CC2)ncn1.CC(C)Oc1cc2c(cn1)CN=C2c1ccnc(N2CCC(O)C2)c1.CC(C)Oc1cc2c(cn1)CN=C2c1ccnc(N2CCN(C)CC2)c1.CC(C)Oc1cc2c(cn1)CN=C2c1ccnc(N2CCN(c3ncccn3)CC2)c1
• InChI: InChI=1S/C23H25N7O.C21H24N8O.C20H25N5O.C19H23N5O2S.C19H22N4O2/c1-16(2)31-21-13-19-18(14-27-21)15-28-22(19)17-4-7-24-20(12-17)29-8-10-30(11-9-29)23-25-5-3-6-26-23;1-14(2)30-20-7-17-15(9-23-20)10-24-21(17)18-8-19(26-12-25-18)28-5-3-16(4-6-28)29-13-22-11-27-29;1-14(2)26-19-11-17-16(12-22-19)13-23-20(17)15-4-5-21-18(10-15)25-8-6-24(3)7-9-25;1-13(2)26-18-8-15-14(10-20-18)11-21-19(15)16-9-17(23-12-22-16)24-4-3-6-27(25)7-5-24;1-12(2)25-18-8-16-14(9-21-18)10-22-19(16)13-3-5-20-17(7-13)23-6-4-15(24)11-23/h3-7,12-14,16H,8-11,15H2,1-2H3;7-9,11-14,16H,3-6,10H2,1-2H3;4-5,10-12,14H,6-9,13H2,1-3H3;8-10,12-13H,3-7,11H2,1-2H3;3,5,7-9,12,15,24H,4,6,10-11H2,1-2H3
• InChIKey: HQFYZTBEXIPZAQ-UHFFFAOYSA-N
• XLogP: 11.70
• TPSA: 379.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 36
• Rotatable Bonds: 22
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1895.34
LogP ≤ 5	11.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;6-propan-2-yloxy-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridine;1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]pyrrolidin-3-ol;4-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]-1,4-thiazepane 1-oxide;6-propan-2-yloxy-1-[6-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-yl]-3H-pyrrolo[3,4-c]pyridine?

The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;6-propan-2-yloxy-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridine;1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]pyrrolidin-3-ol;4-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]-1,4-thiazepane 1-oxide;6-propan-2-yloxy-1-[6-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-yl]-3H-pyrrolo[3,4-c]pyridine (CID 158555509) is 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;6-propan-2-yloxy-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridine;1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]pyrrolidin-3-ol;4-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]-1,4-thiazepane 1-oxide;6-propan-2-yloxy-1-[6-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-yl]-3H-pyrrolo[3,4-c]pyridine.

What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;6-propan-2-yloxy-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridine;1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]pyrrolidin-3-ol;4-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]-1,4-thiazepane 1-oxide;6-propan-2-yloxy-1-[6-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-yl]-3H-pyrrolo[3,4-c]pyridine?

The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;6-propan-2-yloxy-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridine;1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]pyrrolidin-3-ol;4-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]-1,4-thiazepane 1-oxide;6-propan-2-yloxy-1-[6-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-yl]-3H-pyrrolo[3,4-c]pyridine is CC(C)Oc1cc2c(cn1)CN=C2c1cc(N2CCC(n3cncn3)CC2)ncn1.CC(C)Oc1cc2c(cn1)CN=C2c1cc(N2CCCS(=O)CC2)ncn1.CC(C)Oc1cc2c(cn1)CN=C2c1ccnc(N2CCC(O)C2)c1.CC(C)Oc1cc2c(cn1)CN=C2c1ccnc(N2CCN(C)CC2)c1.CC(C)Oc1cc2c(cn1)CN=C2c1ccnc(N2CCN(c3ncccn3)CC2)c1.

What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;6-propan-2-yloxy-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridine;1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]pyrrolidin-3-ol;4-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]-1,4-thiazepane 1-oxide;6-propan-2-yloxy-1-[6-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-yl]-3H-pyrrolo[3,4-c]pyridine?

The InChIKey is HQFYZTBEXIPZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O.C21H24N8O.C20H25N5O.C19H23N5O2S.C19H22N4O2/c1-16(2)31-21-13-19-18(14-27-21)15-28-22(19)17-4-7-24-20(12-17)29-8-10-30(11-9-29)23-25-5-3-6-26-23;1-14(2)30-20-7-17-15(9-23-20)10-24-21(17)18-8-19(26-12-25-18)28-5-3-16(4-6-28)29-13-22-11-27-29;1-14(2)26-19-11-17-16(12-22-19)13-23-20(17)15-4-5-21-18(10-15)25-8-6-24(3)7-9-25;1-13(2)26-18-8-15-14(10-20-18)11-21-19(15)16-9-17(23-12-22-16)24-4-3-6-27(25)7-5-24;1-12(2)25-18-8-16-14(9-21-18)10-22-19(16)13-3-5-20-17(7-13)23-6-4-15(24)11-23/h3-7,12-14,16H,8-11,15H2,1-2H3;7-9,11-14,16H,3-6,10H2,1-2H3;4-5,10-12,14H,6-9,13H2,1-3H3;8-10,12-13H,3-7,11H2,1-2H3;3,5,7-9,12,15,24H,4,6,10-11H2,1-2H3.

What are the key properties of 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;6-propan-2-yloxy-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridine;1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]pyrrolidin-3-ol;4-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]-1,4-thiazepane 1-oxide;6-propan-2-yloxy-1-[6-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-yl]-3H-pyrrolo[3,4-c]pyridine?

1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;6-propan-2-yloxy-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridine;1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]pyrrolidin-3-ol;4-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]-1,4-thiazepane 1-oxide;6-propan-2-yloxy-1-[6-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-yl]-3H-pyrrolo[3,4-c]pyridine has a molecular weight of 1895.34 g/mol, XLogP of 11.70, 22 rotatable bonds, 1 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;6-propan-2-yloxy-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)-4-pyridinyl]-3H-pyrrolo[3,4-c]pyridine;1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]pyrrolidin-3-ol;4-[6-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)pyrimidin-4-yl]-1,4-thiazepane 1-oxide;6-propan-2-yloxy-1-[6-[4-(1,2,4-triazol-1-yl)piperidin-1-yl]pyrimidin-4-yl]-3H-pyrrolo[3,4-c]pyridine is sourced from PubChem (CID 158555509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).