N-[(3aR,6aS)-2-(5-bromo-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;N-[(3aR,6aS)-2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;methane

C58H60Br2Cl2N14O4 — CID 165021483

About N-[(3aR,6aS)-2-(5-bromo-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;N-[(3aR,6aS)-2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;methane

N-[(3aR,6aS)-2-(5-bromo-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;N-[(3aR,6aS)-2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;methane (PubChem CID 165021483) has the molecular formula C58H60Br2Cl2N14O4 and a molecular weight of 1247.93 g/mol. Its IUPAC name is N-[(3aR,6aS)-2-(5-bromo-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;N-[(3aR,6aS)-2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;methane.

Molecular Properties

• Compound Name: N-[(3aR,6aS)-2-(5-bromo-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;N-[(3aR,6aS)-2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;methane
• PubChem CID: 165021483
• Molecular Formula: C58H60Br2Cl2N14O4
• Molecular Weight: 1247.93 g/mol
• Exact Mass: 1244.27
• IUPAC Name: N-[(3aR,6aS)-2-(5-bromo-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;N-[(3aR,6aS)-2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;methane
• SMILES: C.C.CCOc1cc(-c2ccc(N3C[C@H]4CC(NC(=O)c5ncccc5Cl)C[C@H]4C3)nc2)c2c(C#N)cnn2c1.CCOc1cc(Br)c2c(C#N)cnn2c1.O=C(NC1C[C@@H]2CN(c3ccc(Br)cn3)C[C@@H]2C1)c1ncccc1Cl
• InChI: InChI=1S/C28H26ClN7O2.C18H18BrClN4O.C10H8BrN3O.2CH4/c1-2-38-22-10-23(27-20(11-30)13-33-36(27)16-22)17-5-6-25(32-12-17)35-14-18-8-21(9-19(18)15-35)34-28(37)26-24(29)4-3-7-31-26;19-13-3-4-16(22-8-13)24-9-11-6-14(7-12(11)10-24)23-18(25)17-15(20)2-1-5-21-17;1-2-15-8-3-9(11)10-7(4-12)5-13-14(10)6-8;;/h3-7,10,12-13,16,18-19,21H,2,8-9,14-15H2,1H3,(H,34,37);1-5,8,11-12,14H,6-7,9-10H2,(H,23,25);3,5-6H,2H2,1H3;2*1H4/t18-,19+,21?;11-,12+,14?
• InChIKey: LFNAAYWHFSBUBB-PLTCPXTRSA-N
• XLogP: 11.54
• TPSA: 216.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1247.93
LogP ≤ 5	11.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of N-[(3aR,6aS)-2-(5-bromo-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;N-[(3aR,6aS)-2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;methane (CID 165021483) is N-[(3aR,6aS)-2-(5-bromo-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;N-[(3aR,6aS)-2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;methane.

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

The canonical SMILES for N-[(3aR,6aS)-2-(5-bromo-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;N-[(3aR,6aS)-2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;methane is C.C.CCOc1cc(-c2ccc(N3C[C@H]4CC(NC(=O)c5ncccc5Cl)C[C@H]4C3)nc2)c2c(C#N)cnn2c1.CCOc1cc(Br)c2c(C#N)cnn2c1.O=C(NC1C[C@@H]2CN(c3ccc(Br)cn3)C[C@@H]2C1)c1ncccc1Cl.

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

The InChIKey is LFNAAYWHFSBUBB-PLTCPXTRSA-N. The full InChI is InChI=1S/C28H26ClN7O2.C18H18BrClN4O.C10H8BrN3O.2CH4/c1-2-38-22-10-23(27-20(11-30)13-33-36(27)16-22)17-5-6-25(32-12-17)35-14-18-8-21(9-19(18)15-35)34-28(37)26-24(29)4-3-7-31-26;19-13-3-4-16(22-8-13)24-9-11-6-14(7-12(11)10-24)23-18(25)17-15(20)2-1-5-21-17;1-2-15-8-3-9(11)10-7(4-12)5-13-14(10)6-8;;/h3-7,10,12-13,16,18-19,21H,2,8-9,14-15H2,1H3,(H,34,37);1-5,8,11-12,14H,6-7,9-10H2,(H,23,25);3,5-6H,2H2,1H3;2*1H4/t18-,19+,21?;11-,12+,14?;;;.

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

N-[(3aR,6aS)-2-(5-bromo-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;N-[(3aR,6aS)-2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;methane has a molecular weight of 1247.93 g/mol, XLogP of 11.54, 11 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3aR,6aS)-2-(5-bromo-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;N-[(3aR,6aS)-2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]-3-chloropyridine-2-carboxamide;4-bromo-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile;methane is sourced from PubChem (CID 165021483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).