N-[(3aR,6aS)-2-(5-bromo-2-pyridinyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;N-[(3aS,6aR)-2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane

C77H88BBr2Cl2N17O7 — CID 165066815

About N-[(3aR,6aS)-2-(5-bromo-2-pyridinyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;N-[(3aS,6aR)-2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane

N-[(3aR,6aS)-2-(5-bromo-2-pyridinyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;N-[(3aS,6aR)-2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane (PubChem CID 165066815) has the molecular formula C77H88BBr2Cl2N17O7 and a molecular weight of 1605.19 g/mol. Its IUPAC name is N-[(3aR,6aS)-2-(5-bromo-2-pyridinyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;N-[(3aS,6aR)-2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane.

Molecular Properties

• Compound Name: N-[(3aR,6aS)-2-(5-bromo-2-pyridinyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;N-[(3aS,6aR)-2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane
• PubChem CID: 165066815
• Molecular Formula: C77H88BBr2Cl2N17O7
• Molecular Weight: 1605.19 g/mol
• Exact Mass: 1601.49
• IUPAC Name: N-[(3aR,6aS)-2-(5-bromo-2-pyridinyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;N-[(3aS,6aR)-2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane
• SMILES: C.C.C.CC1(NC(=O)c2ncccc2Cl)C[C@H]2CN(c3ccc(Br)cn3)C[C@H]2C1.CCOc1cc(-c2ccc(N3C[C@@H]4CC(C)(NC(=O)c5ncccc5Cl)C[C@@H]4C3)nc2)c2c(C#N)cnn2c1.CCOc1cc(B2OC(C)(C)C(C)(C)O2)c2c(C#N)cnn2c1.CCOc1cc(Br)c2c(C#N)cnn2c1
• InChI: InChI=1S/C29H28ClN7O2.C19H20BrClN4O.C16H20BN3O3.C10H8BrN3O.3CH4/c1-3-39-22-9-23(27-21(12-31)14-34-37(27)17-22)18-6-7-25(33-13-18)36-15-19-10-29(2,11-20(19)16-36)35-28(38)26-24(30)5-4-8-32-26;1-19(24-18(26)17-15(21)3-2-6-22-17)7-12-10-25(11-13(12)8-19)16-5-4-14(20)9-23-16;1-6-21-12-7-13(14-11(8-18)9-19-20(14)10-12)17-22-15(2,3)16(4,5)23-17;1-2-15-8-3-9(11)10-7(4-12)5-13-14(10)6-8;;;/h4-9,13-14,17,19-20H,3,10-11,15-16H2,1-2H3,(H,35,38);2-6,9,12-13H,7-8,10-11H2,1H3,(H,24,26);7,9-10H,6H2,1-5H3;3,5-6H,2H2,1H3;3*1H4/t19-,20+,29?;12-,13+,19?
• InChIKey: SCHPRDRKWRHESJ-VFVFBSMCSA-N
• XLogP: 14.86
• TPSA: 285.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 14
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1605.19
LogP ≤ 5	14.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(3aR,6aS)-2-(5-bromo-2-pyridinyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;N-[(3aS,6aR)-2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane?

The IUPAC name of N-[(3aR,6aS)-2-(5-bromo-2-pyridinyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;N-[(3aS,6aR)-2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane (CID 165066815) is N-[(3aR,6aS)-2-(5-bromo-2-pyridinyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;N-[(3aS,6aR)-2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane.

What is the SMILES notation for N-[(3aR,6aS)-2-(5-bromo-2-pyridinyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;N-[(3aS,6aR)-2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane?

The canonical SMILES for N-[(3aR,6aS)-2-(5-bromo-2-pyridinyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;N-[(3aS,6aR)-2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane is C.C.C.CC1(NC(=O)c2ncccc2Cl)C[C@H]2CN(c3ccc(Br)cn3)C[C@H]2C1.CCOc1cc(-c2ccc(N3C[C@@H]4CC(C)(NC(=O)c5ncccc5Cl)C[C@@H]4C3)nc2)c2c(C#N)cnn2c1.CCOc1cc(B2OC(C)(C)C(C)(C)O2)c2c(C#N)cnn2c1.CCOc1cc(Br)c2c(C#N)cnn2c1.

What is the InChIKey of N-[(3aR,6aS)-2-(5-bromo-2-pyridinyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;N-[(3aS,6aR)-2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane?

The InChIKey is SCHPRDRKWRHESJ-VFVFBSMCSA-N. The full InChI is InChI=1S/C29H28ClN7O2.C19H20BrClN4O.C16H20BN3O3.C10H8BrN3O.3CH4/c1-3-39-22-9-23(27-21(12-31)14-34-37(27)17-22)18-6-7-25(33-13-18)36-15-19-10-29(2,11-20(19)16-36)35-28(38)26-24(30)5-4-8-32-26;1-19(24-18(26)17-15(21)3-2-6-22-17)7-12-10-25(11-13(12)8-19)16-5-4-14(20)9-23-16;1-6-21-12-7-13(14-11(8-18)9-19-20(14)10-12)17-22-15(2,3)16(4,5)23-17;1-2-15-8-3-9(11)10-7(4-12)5-13-14(10)6-8;;;/h4-9,13-14,17,19-20H,3,10-11,15-16H2,1-2H3,(H,35,38);2-6,9,12-13H,7-8,10-11H2,1H3,(H,24,26);7,9-10H,6H2,1-5H3;3,5-6H,2H2,1H3;3*1H4/t19-,20+,29?;12-,13+,19?;;;;;.

What are the key properties of N-[(3aR,6aS)-2-(5-bromo-2-pyridinyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;N-[(3aS,6aR)-2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane?

N-[(3aR,6aS)-2-(5-bromo-2-pyridinyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;N-[(3aS,6aR)-2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane has a molecular weight of 1605.19 g/mol, XLogP of 14.86, 14 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3aR,6aS)-2-(5-bromo-2-pyridinyl)-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;N-[(3aS,6aR)-2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;methane is sourced from PubChem (CID 165066815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).