4-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]pyridine-3-carboxylic acid;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-piperidin-1-ylimidazo[1,2-b]pyridazin-2-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-prop-1-en-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(3H-pyrrol-5-yl)methanone

C89H92F12N14O6 — CID 157185079

About 4-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]pyridine-3-carboxylic acid;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-piperidin-1-ylimidazo[1,2-b]pyridazin-2-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-prop-1-en-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(3H-pyrrol-5-yl)methanone

4-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]pyridine-3-carboxylic acid;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-piperidin-1-ylimidazo[1,2-b]pyridazin-2-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-prop-1-en-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(3H-pyrrol-5-yl)methanone (PubChem CID 157185079) has the molecular formula C89H92F12N14O6 and a molecular weight of 1681.78 g/mol. Its IUPAC name is 4-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]pyridine-3-carboxylic acid;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-piperidin-1-ylimidazo[1,2-b]pyridazin-2-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-prop-1-en-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(3H-pyrrol-5-yl)methanone.

Molecular Properties

• Compound Name: 4-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]pyridine-3-carboxylic acid;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-piperidin-1-ylimidazo[1,2-b]pyridazin-2-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-prop-1-en-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(3H-pyrrol-5-yl)methanone
• PubChem CID: 157185079
• Molecular Formula: C89H92F12N14O6
• Molecular Weight: 1681.78 g/mol
• Exact Mass: 1680.71
• IUPAC Name: 4-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]pyridine-3-carboxylic acid;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-piperidin-1-ylimidazo[1,2-b]pyridazin-2-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-prop-1-en-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(3H-pyrrol-5-yl)methanone
• SMILES: C=C(C)N1Cc2[nH]nc(C(=O)N3C[C@H]4CC(c5ccccc5C(F)(F)F)C[C@H]4C3)c2C1.O=C(C1=CCC=N1)N1C[C@H]2CC(c3ccccc3C(F)(F)F)C[C@H]2C1.O=C(O)c1cnccc1NC(=O)N1C[C@H]2CC(c3ccccc3C(F)(F)F)C[C@H]2C1.O=C(c1cn2nc(N3CCCCC3)ccc2n1)N1C[C@H]2CC(c3ccccc3C(F)(F)F)C[C@H]2C1
• InChI: InChI=1S/C26H28F3N5O.C23H25F3N4O.C21H20F3N3O3.C19H19F3N2O/c27-26(28,29)21-7-3-2-6-20(21)17-12-18-14-33(15-19(18)13-17)25(35)22-16-34-23(30-22)8-9-24(31-34)32-10-4-1-5-11-32;1-13(2)29-11-18-20(12-29)27-28-21(18)22(31)30-9-15-7-14(8-16(15)10-30)17-5-3-4-6-19(17)23(24,25)26;22-21(23,24)17-4-2-1-3-15(17)12-7-13-10-27(11-14(13)8-12)20(30)26-18-5-6-25-9-16(18)19(28)29;20-19(21,22)16-5-2-1-4-15(16)12-8-13-10-24(11-14(13)9-12)18(25)17-6-3-7-23-17/h2-3,6-9,16-19H,1,4-5,10-15H2;3-6,14-16H,1,7-12H2,2H3,(H,27,28);1-6,9,12-14H,7-8,10-11H2,(H,28,29)(H,25,26,30);1-2,4-7,12-14H,3,8-11H2/t17?,18-,19+;14?,15-,16+;2*12?,13-,14+
• InChIKey: APAHLPJWPFYIHD-DWWAXBTGSA-N
• XLogP: 18.02
• TPSA: 221.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1681.78
LogP ≤ 5	18.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 4-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]pyridine-3-carboxylic acid;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-piperidin-1-ylimidazo[1,2-b]pyridazin-2-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-prop-1-en-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(3H-pyrrol-5-yl)methanone?

The IUPAC name of 4-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]pyridine-3-carboxylic acid;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-piperidin-1-ylimidazo[1,2-b]pyridazin-2-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-prop-1-en-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(3H-pyrrol-5-yl)methanone (CID 157185079) is 4-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]pyridine-3-carboxylic acid;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-piperidin-1-ylimidazo[1,2-b]pyridazin-2-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-prop-1-en-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(3H-pyrrol-5-yl)methanone.

What is the SMILES notation for 4-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]pyridine-3-carboxylic acid;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-piperidin-1-ylimidazo[1,2-b]pyridazin-2-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-prop-1-en-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(3H-pyrrol-5-yl)methanone?

The canonical SMILES for 4-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]pyridine-3-carboxylic acid;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-piperidin-1-ylimidazo[1,2-b]pyridazin-2-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-prop-1-en-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(3H-pyrrol-5-yl)methanone is C=C(C)N1Cc2[nH]nc(C(=O)N3C[C@H]4CC(c5ccccc5C(F)(F)F)C[C@H]4C3)c2C1.O=C(C1=CCC=N1)N1C[C@H]2CC(c3ccccc3C(F)(F)F)C[C@H]2C1.O=C(O)c1cnccc1NC(=O)N1C[C@H]2CC(c3ccccc3C(F)(F)F)C[C@H]2C1.O=C(c1cn2nc(N3CCCCC3)ccc2n1)N1C[C@H]2CC(c3ccccc3C(F)(F)F)C[C@H]2C1.

What is the InChIKey of 4-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]pyridine-3-carboxylic acid;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-piperidin-1-ylimidazo[1,2-b]pyridazin-2-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-prop-1-en-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(3H-pyrrol-5-yl)methanone?

The InChIKey is APAHLPJWPFYIHD-DWWAXBTGSA-N. The full InChI is InChI=1S/C26H28F3N5O.C23H25F3N4O.C21H20F3N3O3.C19H19F3N2O/c27-26(28,29)21-7-3-2-6-20(21)17-12-18-14-33(15-19(18)13-17)25(35)22-16-34-23(30-22)8-9-24(31-34)32-10-4-1-5-11-32;1-13(2)29-11-18-20(12-29)27-28-21(18)22(31)30-9-15-7-14(8-16(15)10-30)17-5-3-4-6-19(17)23(24,25)26;22-21(23,24)17-4-2-1-3-15(17)12-7-13-10-27(11-14(13)8-12)20(30)26-18-5-6-25-9-16(18)19(28)29;20-19(21,22)16-5-2-1-4-15(16)12-8-13-10-24(11-14(13)9-12)18(25)17-6-3-7-23-17/h2-3,6-9,16-19H,1,4-5,10-15H2;3-6,14-16H,1,7-12H2,2H3,(H,27,28);1-6,9,12-14H,7-8,10-11H2,(H,28,29)(H,25,26,30);1-2,4-7,12-14H,3,8-11H2/t17?,18-,19+;14?,15-,16+;2*12?,13-,14+.

What are the key properties of 4-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]pyridine-3-carboxylic acid;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-piperidin-1-ylimidazo[1,2-b]pyridazin-2-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-prop-1-en-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(3H-pyrrol-5-yl)methanone?

4-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]pyridine-3-carboxylic acid;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-piperidin-1-ylimidazo[1,2-b]pyridazin-2-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-prop-1-en-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(3H-pyrrol-5-yl)methanone has a molecular weight of 1681.78 g/mol, XLogP of 18.02, 11 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(3aR,6aS)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]amino]pyridine-3-carboxylic acid;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(6-piperidin-1-ylimidazo[1,2-b]pyridazin-2-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(5-prop-1-en-2-yl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl)methanone;[(3aS,6aR)-5-[2-(trifluoromethyl)phenyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-(3H-pyrrol-5-yl)methanone is sourced from PubChem (CID 157185079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).