(7Z)-N-(azepan-1-yl)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]-4H-pyrano[3,4-d]pyrazole-3-carboxamide

C72H63Cl9N12O9 — CID 158402140

About (7Z)-N-(azepan-1-yl)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]-4H-pyrano[3,4-d]pyrazole-3-carboxamide

(7Z)-N-(azepan-1-yl)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]-4H-pyrano[3,4-d]pyrazole-3-carboxamide (PubChem CID 158402140) has the molecular formula C72H63Cl9N12O9 and a molecular weight of 1559.45 g/mol. Its IUPAC name is (7Z)-N-(azepan-1-yl)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]-4H-pyrano[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: (7Z)-N-(azepan-1-yl)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]-4H-pyrano[3,4-d]pyrazole-3-carboxamide
• PubChem CID: 158402140
• Molecular Formula: C72H63Cl9N12O9
• Molecular Weight: 1559.45 g/mol
• Exact Mass: 1554.20
• IUPAC Name: (7Z)-N-(azepan-1-yl)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]-4H-pyrano[3,4-d]pyrazole-3-carboxamide
• SMILES: C[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1COC/C2=C\c1ccc(Cl)o1)c1ccccn1.O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1COC/C2=C\c1ccc(Cl)o1.O=C(NN1CCCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1COC/C2=C\c1ccc(Cl)o1
• InChI: InChI=1S/C25H19Cl3N4O3.C24H23Cl3N4O3.C23H21Cl3N4O3/c1-14(20-4-2-3-9-29-20)30-25(33)23-18-13-34-12-15(10-17-6-8-22(28)35-17)24(18)32(31-23)21-7-5-16(26)11-19(21)27;25-16-5-7-20(19(26)12-16)31-23-15(11-17-6-8-21(27)34-17)13-33-14-18(23)22(28-31)24(32)29-30-9-3-1-2-4-10-30;24-15-4-6-19(18(25)11-15)30-22-14(10-16-5-7-20(26)33-16)12-32-13-17(22)21(27-30)23(31)28-29-8-2-1-3-9-29/h2-11,14H,12-13H2,1H3,(H,30,33);5-8,11-12H,1-4,9-10,13-14H2,(H,29,32);4-7,10-11H,1-3,8-9,12-13H2,(H,28,31)/b15-10+;15-11+;14-10+/t14-;;/m1../s1
• InChIKey: GYFSPJFIXVRSPE-PDKYZOFXSA-N
• XLogP: 18.03
• TPSA: 227.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1559.45
LogP ≤ 5	18.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of (7Z)-N-(azepan-1-yl)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]-4H-pyrano[3,4-d]pyrazole-3-carboxamide?

The IUPAC name of (7Z)-N-(azepan-1-yl)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]-4H-pyrano[3,4-d]pyrazole-3-carboxamide (CID 158402140) is (7Z)-N-(azepan-1-yl)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]-4H-pyrano[3,4-d]pyrazole-3-carboxamide.

What is the SMILES notation for (7Z)-N-(azepan-1-yl)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]-4H-pyrano[3,4-d]pyrazole-3-carboxamide?

The canonical SMILES for (7Z)-N-(azepan-1-yl)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]-4H-pyrano[3,4-d]pyrazole-3-carboxamide is C[C@@H](NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1COC/C2=C\c1ccc(Cl)o1)c1ccccn1.O=C(NN1CCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1COC/C2=C\c1ccc(Cl)o1.O=C(NN1CCCCCC1)c1nn(-c2ccc(Cl)cc2Cl)c2c1COC/C2=C\c1ccc(Cl)o1.

What is the InChIKey of (7Z)-N-(azepan-1-yl)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]-4H-pyrano[3,4-d]pyrazole-3-carboxamide?

The InChIKey is GYFSPJFIXVRSPE-PDKYZOFXSA-N. The full InChI is InChI=1S/C25H19Cl3N4O3.C24H23Cl3N4O3.C23H21Cl3N4O3/c1-14(20-4-2-3-9-29-20)30-25(33)23-18-13-34-12-15(10-17-6-8-22(28)35-17)24(18)32(31-23)21-7-5-16(26)11-19(21)27;25-16-5-7-20(19(26)12-16)31-23-15(11-17-6-8-21(27)34-17)13-33-14-18(23)22(28-31)24(32)29-30-9-3-1-2-4-10-30;24-15-4-6-19(18(25)11-15)30-22-14(10-16-5-7-20(26)33-16)12-32-13-17(22)21(27-30)23(31)28-29-8-2-1-3-9-29/h2-11,14H,12-13H2,1H3,(H,30,33);5-8,11-12H,1-4,9-10,13-14H2,(H,29,32);4-7,10-11H,1-3,8-9,12-13H2,(H,28,31)/b15-10+;15-11+;14-10+/t14-;;/m1../s1.

What are the key properties of (7Z)-N-(azepan-1-yl)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]-4H-pyrano[3,4-d]pyrazole-3-carboxamide?

(7Z)-N-(azepan-1-yl)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]-4H-pyrano[3,4-d]pyrazole-3-carboxamide has a molecular weight of 1559.45 g/mol, XLogP of 18.03, 13 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (7Z)-N-(azepan-1-yl)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-N-piperidin-1-yl-4H-pyrano[3,4-d]pyrazole-3-carboxamide;(7Z)-7-[(5-chlorofuran-2-yl)methylidene]-1-(2,4-dichlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]-4H-pyrano[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 158402140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).