4-[3-ethenyl-1-(oxan-2-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;ethyl 4-(7H-cyclopenta[b]pyridin-4-yl)-1-(oxan-2-yl)pyrazole-3-carboxylate;4-[3-ethyl-1-(oxan-2-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;7-methoxy-4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaene;4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-7-ol

C90H97N15O9 — CID 158415583

About 4-[3-ethenyl-1-(oxan-2-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;ethyl 4-(7H-cyclopenta[b]pyridin-4-yl)-1-(oxan-2-yl)pyrazole-3-carboxylate;4-[3-ethyl-1-(oxan-2-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;7-methoxy-4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaene;4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-7-ol

4-[3-ethenyl-1-(oxan-2-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;ethyl 4-(7H-cyclopenta[b]pyridin-4-yl)-1-(oxan-2-yl)pyrazole-3-carboxylate;4-[3-ethyl-1-(oxan-2-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;7-methoxy-4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaene;4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-7-ol (PubChem CID 158415583) has the molecular formula C90H97N15O9 and a molecular weight of 1532.86 g/mol. Its IUPAC name is 4-[3-ethenyl-1-(oxan-2-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;ethyl 4-(7H-cyclopenta[b]pyridin-4-yl)-1-(oxan-2-yl)pyrazole-3-carboxylate;4-[3-ethyl-1-(oxan-2-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;7-methoxy-4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaene;4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-7-ol.

Molecular Properties

• Compound Name: 4-[3-ethenyl-1-(oxan-2-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;ethyl 4-(7H-cyclopenta[b]pyridin-4-yl)-1-(oxan-2-yl)pyrazole-3-carboxylate;4-[3-ethyl-1-(oxan-2-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;7-methoxy-4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaene;4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-7-ol
• PubChem CID: 158415583
• Molecular Formula: C90H97N15O9
• Molecular Weight: 1532.86 g/mol
• Exact Mass: 1531.76
• IUPAC Name: 4-[3-ethenyl-1-(oxan-2-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;ethyl 4-(7H-cyclopenta[b]pyridin-4-yl)-1-(oxan-2-yl)pyrazole-3-carboxylate;4-[3-ethyl-1-(oxan-2-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;7-methoxy-4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaene;4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-7-ol
• SMILES: C=Cc1nn(C2CCCCO2)cc1-c1ccnc2c1C=CC2.CCOC(=O)c1nn(C2CCCCO2)cc1-c1ccnc2c1C=CC2.CCc1nn(C2CCCCO2)cc1-c1ccnc2c1C=CC2.COC1C2=CCc3nccc(c32)-c2cn(C3CCCCO3)nc21.OC1C2=CCc3nccc(c32)-c2cn(C3CCCCO3)nc21
• InChI: InChI=1S/C19H21N3O3.C18H19N3O2.C18H21N3O.C18H19N3O.C17H17N3O2/c1-2-24-19(23)18-15(12-22(21-18)17-8-3-4-11-25-17)13-9-10-20-16-7-5-6-14(13)16;1-22-18-12-5-6-14-16(12)11(7-8-19-14)13-10-21(20-17(13)18)15-4-2-3-9-23-15;2*1-2-16-15(12-21(20-16)18-8-3-4-11-22-18)13-9-10-19-17-7-5-6-14(13)17;21-17-11-4-5-13-15(11)10(6-7-18-13)12-9-20(19-16(12)17)14-3-1-2-8-22-14/h5-6,9-10,12,17H,2-4,7-8,11H2,1H3;5,7-8,10,15,18H,2-4,6,9H2,1H3;5-6,9-10,12,18H,2-4,7-8,11H2,1H3;2,5-6,9-10,12,18H,1,3-4,7-8,11H2;4,6-7,9,14,17,21H,1-3,5,8H2
• InChIKey: GZVVPLRKMHPALM-UHFFFAOYSA-N
• XLogP: 16.94
• TPSA: 255.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 13
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1532.86
LogP ≤ 5	16.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 4-[3-ethenyl-1-(oxan-2-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;ethyl 4-(7H-cyclopenta[b]pyridin-4-yl)-1-(oxan-2-yl)pyrazole-3-carboxylate;4-[3-ethyl-1-(oxan-2-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;7-methoxy-4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaene;4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-7-ol?

The IUPAC name of 4-[3-ethenyl-1-(oxan-2-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;ethyl 4-(7H-cyclopenta[b]pyridin-4-yl)-1-(oxan-2-yl)pyrazole-3-carboxylate;4-[3-ethyl-1-(oxan-2-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;7-methoxy-4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaene;4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-7-ol (CID 158415583) is 4-[3-ethenyl-1-(oxan-2-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;ethyl 4-(7H-cyclopenta[b]pyridin-4-yl)-1-(oxan-2-yl)pyrazole-3-carboxylate;4-[3-ethyl-1-(oxan-2-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;7-methoxy-4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaene;4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-7-ol.

What is the SMILES notation for 4-[3-ethenyl-1-(oxan-2-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;ethyl 4-(7H-cyclopenta[b]pyridin-4-yl)-1-(oxan-2-yl)pyrazole-3-carboxylate;4-[3-ethyl-1-(oxan-2-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;7-methoxy-4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaene;4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-7-ol?

The canonical SMILES for 4-[3-ethenyl-1-(oxan-2-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;ethyl 4-(7H-cyclopenta[b]pyridin-4-yl)-1-(oxan-2-yl)pyrazole-3-carboxylate;4-[3-ethyl-1-(oxan-2-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;7-methoxy-4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaene;4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-7-ol is C=Cc1nn(C2CCCCO2)cc1-c1ccnc2c1C=CC2.CCOC(=O)c1nn(C2CCCCO2)cc1-c1ccnc2c1C=CC2.CCc1nn(C2CCCCO2)cc1-c1ccnc2c1C=CC2.COC1C2=CCc3nccc(c32)-c2cn(C3CCCCO3)nc21.OC1C2=CCc3nccc(c32)-c2cn(C3CCCCO3)nc21.

What is the InChIKey of 4-[3-ethenyl-1-(oxan-2-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;ethyl 4-(7H-cyclopenta[b]pyridin-4-yl)-1-(oxan-2-yl)pyrazole-3-carboxylate;4-[3-ethyl-1-(oxan-2-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;7-methoxy-4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaene;4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-7-ol?

The InChIKey is GZVVPLRKMHPALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3.C18H19N3O2.C18H21N3O.C18H19N3O.C17H17N3O2/c1-2-24-19(23)18-15(12-22(21-18)17-8-3-4-11-25-17)13-9-10-20-16-7-5-6-14(13)16;1-22-18-12-5-6-14-16(12)11(7-8-19-14)13-10-21(20-17(13)18)15-4-2-3-9-23-15;2*1-2-16-15(12-21(20-16)18-8-3-4-11-22-18)13-9-10-19-17-7-5-6-14(13)17;21-17-11-4-5-13-15(11)10(6-7-18-13)12-9-20(19-16(12)17)14-3-1-2-8-22-14/h5-6,9-10,12,17H,2-4,7-8,11H2,1H3;5,7-8,10,15,18H,2-4,6,9H2,1H3;5-6,9-10,12,18H,2-4,7-8,11H2,1H3;2,5-6,9-10,12,18H,1,3-4,7-8,11H2;4,6-7,9,14,17,21H,1-3,5,8H2.

What are the key properties of 4-[3-ethenyl-1-(oxan-2-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;ethyl 4-(7H-cyclopenta[b]pyridin-4-yl)-1-(oxan-2-yl)pyrazole-3-carboxylate;4-[3-ethyl-1-(oxan-2-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;7-methoxy-4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaene;4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-7-ol?

4-[3-ethenyl-1-(oxan-2-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;ethyl 4-(7H-cyclopenta[b]pyridin-4-yl)-1-(oxan-2-yl)pyrazole-3-carboxylate;4-[3-ethyl-1-(oxan-2-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;7-methoxy-4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaene;4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-7-ol has a molecular weight of 1532.86 g/mol, XLogP of 16.94, 13 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-ethenyl-1-(oxan-2-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;ethyl 4-(7H-cyclopenta[b]pyridin-4-yl)-1-(oxan-2-yl)pyrazole-3-carboxylate;4-[3-ethyl-1-(oxan-2-yl)pyrazol-4-yl]-7H-cyclopenta[b]pyridine;7-methoxy-4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaene;4-(oxan-2-yl)-4,5,12-triazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,5,8,11,13-hexaen-7-ol is sourced from PubChem (CID 158415583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).