(7E)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-N-(azepan-1-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide

C77H80Cl6N12O3S3 — CID 157309111

About (7E)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-N-(azepan-1-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide

(7E)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-N-(azepan-1-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide (PubChem CID 157309111) has the molecular formula C77H80Cl6N12O3S3 and a molecular weight of 1530.49 g/mol. Its IUPAC name is (7E)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-N-(azepan-1-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: (7E)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-N-(azepan-1-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide
• PubChem CID: 157309111
• Molecular Formula: C77H80Cl6N12O3S3
• Molecular Weight: 1530.49 g/mol
• Exact Mass: 1526.38
• IUPAC Name: (7E)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-N-(azepan-1-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide
• SMILES: CC1CCCC(C)N1NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC/C2=C\c1ccsc1.O=C(NN1CC2CCCC2C1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC/C2=C\c1ccsc1.O=C(NN1CCCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC/C2=C\c1ccsc1
• InChI: InChI=1S/C26H26Cl2N4OS.C26H28Cl2N4OS.C25H26Cl2N4OS/c27-20-7-8-23(22(28)12-20)32-25-17(11-16-9-10-34-15-16)3-2-6-21(25)24(29-32)26(33)30-31-13-18-4-1-5-19(18)14-31;1-16-5-3-6-17(2)31(16)30-26(33)24-21-8-4-7-19(13-18-11-12-34-15-18)25(21)32(29-24)23-10-9-20(27)14-22(23)28;26-19-8-9-22(21(27)15-19)31-24-18(14-17-10-13-33-16-17)6-5-7-20(24)23(28-31)25(32)29-30-11-3-1-2-4-12-30/h7-12,15,18-19H,1-6,13-14H2,(H,30,33);9-17H,3-8H2,1-2H3,(H,30,33);8-10,13-16H,1-7,11-12H2,(H,29,32)/b17-11+;19-13+;18-14+
• InChIKey: BCVGTGOKMJLNCA-HICZKUAASA-N
• XLogP: 20.16
• TPSA: 150.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1530.49
LogP ≤ 5	20.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of (7E)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-N-(azepan-1-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide?

The IUPAC name of (7E)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-N-(azepan-1-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide (CID 157309111) is (7E)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-N-(azepan-1-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide.

What is the SMILES notation for (7E)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-N-(azepan-1-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide?

The canonical SMILES for (7E)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-N-(azepan-1-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide is CC1CCCC(C)N1NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC/C2=C\c1ccsc1.O=C(NN1CC2CCCC2C1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC/C2=C\c1ccsc1.O=C(NN1CCCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC/C2=C\c1ccsc1.

What is the InChIKey of (7E)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-N-(azepan-1-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide?

The InChIKey is BCVGTGOKMJLNCA-HICZKUAASA-N. The full InChI is InChI=1S/C26H26Cl2N4OS.C26H28Cl2N4OS.C25H26Cl2N4OS/c27-20-7-8-23(22(28)12-20)32-25-17(11-16-9-10-34-15-16)3-2-6-21(25)24(29-32)26(33)30-31-13-18-4-1-5-19(18)14-31;1-16-5-3-6-17(2)31(16)30-26(33)24-21-8-4-7-19(13-18-11-12-34-15-18)25(21)32(29-24)23-10-9-20(27)14-22(23)28;26-19-8-9-22(21(27)15-19)31-24-18(14-17-10-13-33-16-17)6-5-7-20(24)23(28-31)25(32)29-30-11-3-1-2-4-12-30/h7-12,15,18-19H,1-6,13-14H2,(H,30,33);9-17H,3-8H2,1-2H3,(H,30,33);8-10,13-16H,1-7,11-12H2,(H,29,32)/b17-11+;19-13+;18-14+.

What are the key properties of (7E)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-N-(azepan-1-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide?

(7E)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-N-(azepan-1-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide has a molecular weight of 1530.49 g/mol, XLogP of 20.16, 12 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for (7E)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-N-(azepan-1-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide;(7E)-1-(2,4-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)-7-(thiophen-3-ylmethylidene)-5,6-dihydro-4H-indazole-3-carboxamide is sourced from PubChem (CID 157309111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).