(3S,4S)-4-methoxy-1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]pyrrolidin-3-ol;1-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;6-propan-2-yloxy-1-[6-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]-3H-pyrrolo[3,4-c]pyridine;2-[1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]azetidin-3-yl]propan-2-ol;7-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane

C103H121N25O10 — CID 158865029

About (3S,4S)-4-methoxy-1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]pyrrolidin-3-ol;1-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;6-propan-2-yloxy-1-[6-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]-3H-pyrrolo[3,4-c]pyridine;2-[1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]azetidin-3-yl]propan-2-ol;7-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane

(3S,4S)-4-methoxy-1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]pyrrolidin-3-ol;1-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;6-propan-2-yloxy-1-[6-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]-3H-pyrrolo[3,4-c]pyridine;2-[1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]azetidin-3-yl]propan-2-ol;7-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane (PubChem CID 158865029) has the molecular formula C103H121N25O10 and a molecular weight of 1869.27 g/mol. Its IUPAC name is (3S,4S)-4-methoxy-1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]pyrrolidin-3-ol;1-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;6-propan-2-yloxy-1-[6-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]-3H-pyrrolo[3,4-c]pyridine;2-[1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]azetidin-3-yl]propan-2-ol;7-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane.

Molecular Properties

• Compound Name: (3S,4S)-4-methoxy-1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]pyrrolidin-3-ol;1-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;6-propan-2-yloxy-1-[6-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]-3H-pyrrolo[3,4-c]pyridine;2-[1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]azetidin-3-yl]propan-2-ol;7-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane
• PubChem CID: 158865029
• Molecular Formula: C103H121N25O10
• Molecular Weight: 1869.27 g/mol
• Exact Mass: 1867.97
• IUPAC Name: (3S,4S)-4-methoxy-1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]pyrrolidin-3-ol;1-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;6-propan-2-yloxy-1-[6-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]-3H-pyrrolo[3,4-c]pyridine;2-[1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]azetidin-3-yl]propan-2-ol;7-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane
• SMILES: CC(C)Oc1cc2c(cn1)CN=C2c1cc(N2CCN(c3ccncn3)CC2)ncn1.CC(C)Oc1cc2c(cn1)CN=C2c1ccnc(N2CC(C(C)(C)O)C2)c1.CC(C)Oc1cc2c(cn1)CN=C2c1ccnc(N2CCOC3(CC3)C2)c1.CO[C@H]1CCN(c2cc(C3=NCc4cnc(OC(C)C)cc43)ncn2)C1.CO[C@H]1CN(c2cc(C3=NCc4cnc(OC(C)C)cc43)ccn2)C[C@@H]1O
• InChI: InChI=1S/C22H24N8O.C21H24N4O2.C21H26N4O2.C20H24N4O3.C19H23N5O2/c1-15(2)31-21-9-17-16(11-24-21)12-25-22(17)18-10-20(28-14-26-18)30-7-5-29(6-8-30)19-3-4-23-13-27-19;1-14(2)27-19-10-17-16(11-23-19)12-24-20(17)15-3-6-22-18(9-15)25-7-8-26-21(13-25)4-5-21;1-13(2)27-19-8-17-15(9-23-19)10-24-20(17)14-5-6-22-18(7-14)25-11-16(12-25)21(3,4)26;1-12(2)27-19-7-15-14(8-22-19)9-23-20(15)13-4-5-21-18(6-13)24-10-16(25)17(11-24)26-3;1-12(2)26-18-6-15-13(8-20-18)9-21-19(15)16-7-17(23-11-22-16)24-5-4-14(10-24)25-3/h3-4,9-11,13-15H,5-8,12H2,1-2H3;3,6,9-11,14H,4-5,7-8,12-13H2,1-2H3;5-9,13,16,26H,10-12H2,1-4H3;4-8,12,16-17,25H,9-11H2,1-3H3;6-8,11-12,14H,4-5,9-10H2,1-3H3/t;;;16-,17-;14-/m...00/s1
• InChIKey: JBCUHDDPIOZJDO-WLUCIUGQSA-N
• XLogP: 11.98
• TPSA: 376.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 35
• Rotatable Bonds: 24
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1869.27
LogP ≤ 5	11.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-methoxy-1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]pyrrolidin-3-ol;1-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;6-propan-2-yloxy-1-[6-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]-3H-pyrrolo[3,4-c]pyridine;2-[1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]azetidin-3-yl]propan-2-ol;7-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane?

The IUPAC name of (3S,4S)-4-methoxy-1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]pyrrolidin-3-ol;1-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;6-propan-2-yloxy-1-[6-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]-3H-pyrrolo[3,4-c]pyridine;2-[1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]azetidin-3-yl]propan-2-ol;7-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane (CID 158865029) is (3S,4S)-4-methoxy-1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]pyrrolidin-3-ol;1-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;6-propan-2-yloxy-1-[6-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]-3H-pyrrolo[3,4-c]pyridine;2-[1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]azetidin-3-yl]propan-2-ol;7-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane.

What is the SMILES notation for (3S,4S)-4-methoxy-1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]pyrrolidin-3-ol;1-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;6-propan-2-yloxy-1-[6-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]-3H-pyrrolo[3,4-c]pyridine;2-[1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]azetidin-3-yl]propan-2-ol;7-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane?

The canonical SMILES for (3S,4S)-4-methoxy-1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]pyrrolidin-3-ol;1-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;6-propan-2-yloxy-1-[6-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]-3H-pyrrolo[3,4-c]pyridine;2-[1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]azetidin-3-yl]propan-2-ol;7-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane is CC(C)Oc1cc2c(cn1)CN=C2c1cc(N2CCN(c3ccncn3)CC2)ncn1.CC(C)Oc1cc2c(cn1)CN=C2c1ccnc(N2CC(C(C)(C)O)C2)c1.CC(C)Oc1cc2c(cn1)CN=C2c1ccnc(N2CCOC3(CC3)C2)c1.CO[C@H]1CCN(c2cc(C3=NCc4cnc(OC(C)C)cc43)ncn2)C1.CO[C@H]1CN(c2cc(C3=NCc4cnc(OC(C)C)cc43)ccn2)C[C@@H]1O.

What is the InChIKey of (3S,4S)-4-methoxy-1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]pyrrolidin-3-ol;1-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;6-propan-2-yloxy-1-[6-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]-3H-pyrrolo[3,4-c]pyridine;2-[1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]azetidin-3-yl]propan-2-ol;7-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane?

The InChIKey is JBCUHDDPIOZJDO-WLUCIUGQSA-N. The full InChI is InChI=1S/C22H24N8O.C21H24N4O2.C21H26N4O2.C20H24N4O3.C19H23N5O2/c1-15(2)31-21-9-17-16(11-24-21)12-25-22(17)18-10-20(28-14-26-18)30-7-5-29(6-8-30)19-3-4-23-13-27-19;1-14(2)27-19-10-17-16(11-23-19)12-24-20(17)15-3-6-22-18(9-15)25-7-8-26-21(13-25)4-5-21;1-13(2)27-19-8-17-15(9-23-19)10-24-20(17)14-5-6-22-18(7-14)25-11-16(12-25)21(3,4)26;1-12(2)27-19-7-15-14(8-22-19)9-23-20(15)13-4-5-21-18(6-13)24-10-16(25)17(11-24)26-3;1-12(2)26-18-6-15-13(8-20-18)9-21-19(15)16-7-17(23-11-22-16)24-5-4-14(10-24)25-3/h3-4,9-11,13-15H,5-8,12H2,1-2H3;3,6,9-11,14H,4-5,7-8,12-13H2,1-2H3;5-9,13,16,26H,10-12H2,1-4H3;4-8,12,16-17,25H,9-11H2,1-3H3;6-8,11-12,14H,4-5,9-10H2,1-3H3/t;;;16-,17-;14-/m...00/s1.

What are the key properties of (3S,4S)-4-methoxy-1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]pyrrolidin-3-ol;1-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;6-propan-2-yloxy-1-[6-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]-3H-pyrrolo[3,4-c]pyridine;2-[1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]azetidin-3-yl]propan-2-ol;7-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane?

(3S,4S)-4-methoxy-1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]pyrrolidin-3-ol;1-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;6-propan-2-yloxy-1-[6-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]-3H-pyrrolo[3,4-c]pyridine;2-[1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]azetidin-3-yl]propan-2-ol;7-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane has a molecular weight of 1869.27 g/mol, XLogP of 11.98, 24 rotatable bonds, 2 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,4S)-4-methoxy-1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]pyrrolidin-3-ol;1-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridine;6-propan-2-yloxy-1-[6-(4-pyrimidin-4-ylpiperazin-1-yl)pyrimidin-4-yl]-3H-pyrrolo[3,4-c]pyridine;2-[1-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]azetidin-3-yl]propan-2-ol;7-[4-(6-propan-2-yloxy-3H-pyrrolo[3,4-c]pyridin-1-yl)-2-pyridinyl]-4-oxa-7-azaspiro[2.5]octane is sourced from PubChem (CID 158865029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).