2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-N,N-diethylethanamine;N-[2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]ethyl]propan-2-amine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-N-(2-methoxyethyl)ethanamine;1-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-3-(propan-2-ylamino)propan-2-ol;4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]-2-methylbutan-2-ol

C126H142F10N20O13 — CID 157055879

About 2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-N,N-diethylethanamine;N-[2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]ethyl]propan-2-amine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-N-(2-methoxyethyl)ethanamine;1-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-3-(propan-2-ylamino)propan-2-ol;4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]-2-methylbutan-2-ol

2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-N,N-diethylethanamine;N-[2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]ethyl]propan-2-amine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-N-(2-methoxyethyl)ethanamine;1-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-3-(propan-2-ylamino)propan-2-ol;4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]-2-methylbutan-2-ol (PubChem CID 157055879) has the molecular formula C126H142F10N20O13 and a molecular weight of 2334.63 g/mol. Its IUPAC name is 2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-N,N-diethylethanamine;N-[2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]ethyl]propan-2-amine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-N-(2-methoxyethyl)ethanamine;1-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-3-(propan-2-ylamino)propan-2-ol;4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]-2-methylbutan-2-ol.

Molecular Properties

• Compound Name: 2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-N,N-diethylethanamine;N-[2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]ethyl]propan-2-amine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-N-(2-methoxyethyl)ethanamine;1-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-3-(propan-2-ylamino)propan-2-ol;4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]-2-methylbutan-2-ol
• PubChem CID: 157055879
• Molecular Formula: C126H142F10N20O13
• Molecular Weight: 2334.63 g/mol
• Exact Mass: 2333.09
• IUPAC Name: 2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-N,N-diethylethanamine;N-[2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]ethyl]propan-2-amine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-N-(2-methoxyethyl)ethanamine;1-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-3-(propan-2-ylamino)propan-2-ol;4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]-2-methylbutan-2-ol
• SMILES: CCN(CC)CCn1cc(-c2cnc3c(c2)C(Cc2c(F)c(OC)cc(OC)c2F)=CC3)cn1.COCCNCCn1cc(-c2cnc3c(c2)C(Cc2c(F)c(OC)cc(OC)c2F)=CC3)cn1.COc1cc(OC)c(F)c(CC2=CCc3ncc(-c4cnn(CC(O)CNC(C)C)c4)cc32)c1F.COc1cc(OC)c(F)c(CC2=CCc3ncc(-c4cnn(CCNC(C)C)c4)cc32)c1F.COc1cc(OC)c(F)c(Cc2c[nH]c3ncc(-c4cnn(CCC(C)(C)O)c4)cc23)c1F
• InChI: InChI=1S/C26H30F2N4O3.C26H30F2N4O2.C25H28F2N4O3.C25H28F2N4O2.C24H26F2N4O3/c1-15(2)29-12-19(33)14-32-13-18(11-31-32)17-8-20-16(5-6-22(20)30-10-17)7-21-25(27)23(34-3)9-24(35-4)26(21)28;1-5-31(6-2)9-10-32-16-19(15-30-32)18-12-20-17(7-8-22(20)29-14-18)11-21-25(27)23(33-3)13-24(34-4)26(21)28;1-32-9-7-28-6-8-31-15-18(14-30-31)17-11-19-16(4-5-21(19)29-13-17)10-20-24(26)22(33-2)12-23(34-3)25(20)27;1-15(2)28-7-8-31-14-18(13-30-31)17-10-19-16(5-6-21(19)29-12-17)9-20-24(26)22(32-3)11-23(33-4)25(20)27;1-24(2,31)5-6-30-13-16(12-29-30)14-7-17-15(11-28-23(17)27-10-14)8-18-21(25)19(32-3)9-20(33-4)22(18)26/h5,8-11,13,15,19,29,33H,6-7,12,14H2,1-4H3;7,12-16H,5-6,8-11H2,1-4H3;4,11-15,28H,5-10H2,1-3H3;5,10-15,28H,6-9H2,1-4H3;7,9-13,31H,5-6,8H2,1-4H3,(H,27,28)
• InChIKey: AATCWCNYLKAXAU-UHFFFAOYSA-N
• XLogP: 21.10
• TPSA: 350.66 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 48
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2334.63
LogP ≤ 5	21.10
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-N,N-diethylethanamine;N-[2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]ethyl]propan-2-amine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-N-(2-methoxyethyl)ethanamine;1-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-3-(propan-2-ylamino)propan-2-ol;4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]-2-methylbutan-2-ol?

The IUPAC name of 2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-N,N-diethylethanamine;N-[2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]ethyl]propan-2-amine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-N-(2-methoxyethyl)ethanamine;1-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-3-(propan-2-ylamino)propan-2-ol;4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]-2-methylbutan-2-ol (CID 157055879) is 2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-N,N-diethylethanamine;N-[2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]ethyl]propan-2-amine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-N-(2-methoxyethyl)ethanamine;1-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-3-(propan-2-ylamino)propan-2-ol;4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]-2-methylbutan-2-ol.

What is the SMILES notation for 2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-N,N-diethylethanamine;N-[2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]ethyl]propan-2-amine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-N-(2-methoxyethyl)ethanamine;1-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-3-(propan-2-ylamino)propan-2-ol;4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]-2-methylbutan-2-ol?

The canonical SMILES for 2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-N,N-diethylethanamine;N-[2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]ethyl]propan-2-amine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-N-(2-methoxyethyl)ethanamine;1-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-3-(propan-2-ylamino)propan-2-ol;4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]-2-methylbutan-2-ol is CCN(CC)CCn1cc(-c2cnc3c(c2)C(Cc2c(F)c(OC)cc(OC)c2F)=CC3)cn1.COCCNCCn1cc(-c2cnc3c(c2)C(Cc2c(F)c(OC)cc(OC)c2F)=CC3)cn1.COc1cc(OC)c(F)c(CC2=CCc3ncc(-c4cnn(CC(O)CNC(C)C)c4)cc32)c1F.COc1cc(OC)c(F)c(CC2=CCc3ncc(-c4cnn(CCNC(C)C)c4)cc32)c1F.COc1cc(OC)c(F)c(Cc2c[nH]c3ncc(-c4cnn(CCC(C)(C)O)c4)cc23)c1F.

What is the InChIKey of 2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-N,N-diethylethanamine;N-[2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]ethyl]propan-2-amine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-N-(2-methoxyethyl)ethanamine;1-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-3-(propan-2-ylamino)propan-2-ol;4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]-2-methylbutan-2-ol?

The InChIKey is AATCWCNYLKAXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N4O3.C26H30F2N4O2.C25H28F2N4O3.C25H28F2N4O2.C24H26F2N4O3/c1-15(2)29-12-19(33)14-32-13-18(11-31-32)17-8-20-16(5-6-22(20)30-10-17)7-21-25(27)23(34-3)9-24(35-4)26(21)28;1-5-31(6-2)9-10-32-16-19(15-30-32)18-12-20-17(7-8-22(20)29-14-18)11-21-25(27)23(33-3)13-24(34-4)26(21)28;1-32-9-7-28-6-8-31-15-18(14-30-31)17-11-19-16(4-5-21(19)29-13-17)10-20-24(26)22(33-2)12-23(34-3)25(20)27;1-15(2)28-7-8-31-14-18(13-30-31)17-10-19-16(5-6-21(19)29-12-17)9-20-24(26)22(32-3)11-23(33-4)25(20)27;1-24(2,31)5-6-30-13-16(12-29-30)14-7-17-15(11-28-23(17)27-10-14)8-18-21(25)19(32-3)9-20(33-4)22(18)26/h5,8-11,13,15,19,29,33H,6-7,12,14H2,1-4H3;7,12-16H,5-6,8-11H2,1-4H3;4,11-15,28H,5-10H2,1-3H3;5,10-15,28H,6-9H2,1-4H3;7,9-13,31H,5-6,8H2,1-4H3,(H,27,28).

What are the key properties of 2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-N,N-diethylethanamine;N-[2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]ethyl]propan-2-amine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-N-(2-methoxyethyl)ethanamine;1-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-3-(propan-2-ylamino)propan-2-ol;4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]-2-methylbutan-2-ol?

2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-N,N-diethylethanamine;N-[2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]ethyl]propan-2-amine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-N-(2-methoxyethyl)ethanamine;1-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-3-(propan-2-ylamino)propan-2-ol;4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]-2-methylbutan-2-ol has a molecular weight of 2334.63 g/mol, XLogP of 21.10, 48 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-N,N-diethylethanamine;N-[2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]ethyl]propan-2-amine;2-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-N-(2-methoxyethyl)ethanamine;1-[4-[5-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-7H-cyclopenta[b]pyridin-3-yl]pyrazol-1-yl]-3-(propan-2-ylamino)propan-2-ol;4-[4-[3-[(2,6-difluoro-3,5-dimethoxyphenyl)methyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]pyrazol-1-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 157055879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).