(7Z)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-1-(2,4-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide

C76H77Cl6N11O6S3 — CID 157113982

About (7Z)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-1-(2,4-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide

(7Z)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-1-(2,4-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide (PubChem CID 157113982) has the molecular formula C76H77Cl6N11O6S3 and a molecular weight of 1549.44 g/mol. Its IUPAC name is (7Z)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-1-(2,4-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: (7Z)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-1-(2,4-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide
• PubChem CID: 157113982
• Molecular Formula: C76H77Cl6N11O6S3
• Molecular Weight: 1549.44 g/mol
• Exact Mass: 1545.34
• IUPAC Name: (7Z)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-1-(2,4-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide
• SMILES: CC1CCCC(C)N1NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1COC/C2=C\c1cccs1.C[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1COC/C2=C\c1ccsc1)C1CCCCC1.O=C(NN1CC2CCCC2C1)c1nn(-c2ccc(Cl)cc2Cl)c2c1COC/C2=C\c1cccs1
• InChI: InChI=1S/C26H27Cl2N3O2S.C25H24Cl2N4O2S.C25H26Cl2N4O2S/c1-16(18-5-3-2-4-6-18)29-26(32)24-21-14-33-13-19(11-17-9-10-34-15-17)25(21)31(30-24)23-8-7-20(27)12-22(23)28;26-18-6-7-22(21(27)10-18)31-24-17(9-19-5-2-8-34-19)13-33-14-20(24)23(28-31)25(32)29-30-11-15-3-1-4-16(15)12-30;1-15-5-3-6-16(2)30(15)29-25(32)23-20-14-33-13-17(11-19-7-4-10-34-19)24(20)31(28-23)22-9-8-18(26)12-21(22)27/h7-12,15-16,18H,2-6,13-14H2,1H3,(H,29,32);2,5-10,15-16H,1,3-4,11-14H2,(H,29,32);4,7-12,15-16H,3,5-6,13-14H2,1-2H3,(H,29,32)/b19-11+;17-9+;17-11+/t16-;;/m1../s1
• InChIKey: AHEDMOAHPBALCL-GNOJSKQISA-N
• XLogP: 18.92
• TPSA: 174.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1549.44
LogP ≤ 5	18.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of (7Z)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-1-(2,4-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide?

The IUPAC name of (7Z)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-1-(2,4-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide (CID 157113982) is (7Z)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-1-(2,4-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide.

What is the SMILES notation for (7Z)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-1-(2,4-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide?

The canonical SMILES for (7Z)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-1-(2,4-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide is CC1CCCC(C)N1NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1COC/C2=C\c1cccs1.C[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1COC/C2=C\c1ccsc1)C1CCCCC1.O=C(NN1CC2CCCC2C1)c1nn(-c2ccc(Cl)cc2Cl)c2c1COC/C2=C\c1cccs1.

What is the InChIKey of (7Z)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-1-(2,4-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide?

The InChIKey is AHEDMOAHPBALCL-GNOJSKQISA-N. The full InChI is InChI=1S/C26H27Cl2N3O2S.C25H24Cl2N4O2S.C25H26Cl2N4O2S/c1-16(18-5-3-2-4-6-18)29-26(32)24-21-14-33-13-19(11-17-9-10-34-15-17)25(21)31(30-24)23-8-7-20(27)12-22(23)28;26-18-6-7-22(21(27)10-18)31-24-17(9-19-5-2-8-34-19)13-33-14-20(24)23(28-31)25(32)29-30-11-15-3-1-4-16(15)12-30;1-15-5-3-6-16(2)30(15)29-25(32)23-20-14-33-13-17(11-19-7-4-10-34-19)24(20)31(28-23)22-9-8-18(26)12-21(22)27/h7-12,15-16,18H,2-6,13-14H2,1H3,(H,29,32);2,5-10,15-16H,1,3-4,11-14H2,(H,29,32);4,7-12,15-16H,3,5-6,13-14H2,1-2H3,(H,29,32)/b19-11+;17-9+;17-11+/t16-;;/m1../s1.

What are the key properties of (7Z)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-1-(2,4-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide?

(7Z)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-1-(2,4-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide has a molecular weight of 1549.44 g/mol, XLogP of 18.92, 13 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for (7Z)-N-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,4-dichlorophenyl)-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-N-[(1R)-1-cyclohexylethyl]-1-(2,4-dichlorophenyl)-7-(thiophen-3-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-1-(2,4-dichlorophenyl)-N-(2,6-dimethylpiperidin-1-yl)-7-(thiophen-2-ylmethylidene)-4H-pyrano[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 157113982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).