4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)piperazin-2-one;4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3,3-dimethylpiperazin-2-one;7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carboxylic acid;vanadium

C82H84Cl3N11O10V — CID 158463868

About 4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)piperazin-2-one;4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3,3-dimethylpiperazin-2-one;7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carboxylic acid;vanadium

4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)piperazin-2-one;4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3,3-dimethylpiperazin-2-one;7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carboxylic acid;vanadium (PubChem CID 158463868) has the molecular formula C82H84Cl3N11O10V and a molecular weight of 1540.94 g/mol. Its IUPAC name is 4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)piperazin-2-one;4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3,3-dimethylpiperazin-2-one;7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carboxylic acid;vanadium.

Molecular Properties

• Compound Name: 4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)piperazin-2-one;4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3,3-dimethylpiperazin-2-one;7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carboxylic acid;vanadium
• PubChem CID: 158463868
• Molecular Formula: C82H84Cl3N11O10V
• Molecular Weight: 1540.94 g/mol
• Exact Mass: 1538.49
• IUPAC Name: 4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)piperazin-2-one;4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3,3-dimethylpiperazin-2-one;7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carboxylic acid;vanadium
• SMILES: CC(C)(C)c1cc(-c2ccc(Cl)cc2)nc2cc(C(=O)O)oc12.COc1ccc(Cn2nc(C)cc2N2CCN(C(=O)c3cc4nc(-c5ccc(Cl)cc5)cc(C(C)(C)C)c4o3)C(C)(C)C2=O)cc1.Cc1cc(N2CCN(C(=O)c3cc4nc(-c5ccc(Cl)cc5)cc(C(C)(C)C)c4o3)C(C)(C)C2=O)n[nH]1.[V]
• InChI: InChI=1S/C36H38ClN5O4.C28H30ClN5O3.C18H16ClNO3.V/c1-22-18-31(42(39-22)21-23-8-14-26(45-7)15-9-23)40-16-17-41(36(5,6)34(40)44)33(43)30-20-29-32(46-30)27(35(2,3)4)19-28(38-29)24-10-12-25(37)13-11-24;1-16-13-23(32-31-16)33-11-12-34(28(5,6)26(33)36)25(35)22-15-21-24(37-22)19(27(2,3)4)14-20(30-21)17-7-9-18(29)10-8-17;1-18(2,3)12-8-13(10-4-6-11(19)7-5-10)20-14-9-15(17(21)22)23-16(12)14;/h8-15,18-20H,16-17,21H2,1-7H3;7-10,13-15H,11-12H2,1-6H3,(H,31,32);4-9H,1-3H3,(H,21,22)
• InChIKey: HFMWWRYILWWONQ-UHFFFAOYSA-N
• XLogP: 18.16
• TPSA: 252.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1540.94
LogP ≤ 5	18.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)piperazin-2-one;4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3,3-dimethylpiperazin-2-one;7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carboxylic acid;vanadium?

The IUPAC name of 4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)piperazin-2-one;4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3,3-dimethylpiperazin-2-one;7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carboxylic acid;vanadium (CID 158463868) is 4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)piperazin-2-one;4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3,3-dimethylpiperazin-2-one;7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carboxylic acid;vanadium.

What is the SMILES notation for 4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)piperazin-2-one;4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3,3-dimethylpiperazin-2-one;7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carboxylic acid;vanadium?

The canonical SMILES for 4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)piperazin-2-one;4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3,3-dimethylpiperazin-2-one;7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carboxylic acid;vanadium is CC(C)(C)c1cc(-c2ccc(Cl)cc2)nc2cc(C(=O)O)oc12.COc1ccc(Cn2nc(C)cc2N2CCN(C(=O)c3cc4nc(-c5ccc(Cl)cc5)cc(C(C)(C)C)c4o3)C(C)(C)C2=O)cc1.Cc1cc(N2CCN(C(=O)c3cc4nc(-c5ccc(Cl)cc5)cc(C(C)(C)C)c4o3)C(C)(C)C2=O)n[nH]1.[V].

What is the InChIKey of 4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)piperazin-2-one;4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3,3-dimethylpiperazin-2-one;7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carboxylic acid;vanadium?

The InChIKey is HFMWWRYILWWONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H38ClN5O4.C28H30ClN5O3.C18H16ClNO3.V/c1-22-18-31(42(39-22)21-23-8-14-26(45-7)15-9-23)40-16-17-41(36(5,6)34(40)44)33(43)30-20-29-32(46-30)27(35(2,3)4)19-28(38-29)24-10-12-25(37)13-11-24;1-16-13-23(32-31-16)33-11-12-34(28(5,6)26(33)36)25(35)22-15-21-24(37-22)19(27(2,3)4)14-20(30-21)17-7-9-18(29)10-8-17;1-18(2,3)12-8-13(10-4-6-11(19)7-5-10)20-14-9-15(17(21)22)23-16(12)14;/h8-15,18-20H,16-17,21H2,1-7H3;7-10,13-15H,11-12H2,1-6H3,(H,31,32);4-9H,1-3H3,(H,21,22);.

What are the key properties of 4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)piperazin-2-one;4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3,3-dimethylpiperazin-2-one;7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carboxylic acid;vanadium?

4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)piperazin-2-one;4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3,3-dimethylpiperazin-2-one;7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carboxylic acid;vanadium has a molecular weight of 1540.94 g/mol, XLogP of 18.16, 11 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-3,3-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)piperazin-2-one;4-[7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carbonyl]-1-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]-3,3-dimethylpiperazin-2-one;7-tert-butyl-5-(4-chlorophenyl)furo[3,2-b]pyridine-2-carboxylic acid;vanadium is sourced from PubChem (CID 158463868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).