N,N-diethyl-3-methyl-1-(2-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-ethyl-3-methyl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;methyl 1-(2-cyanoethyl)-6-(2-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate

C61H64N12O5S — CID 159982222

About N,N-diethyl-3-methyl-1-(2-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-ethyl-3-methyl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;methyl 1-(2-cyanoethyl)-6-(2-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate

N,N-diethyl-3-methyl-1-(2-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-ethyl-3-methyl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;methyl 1-(2-cyanoethyl)-6-(2-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 159982222) has the molecular formula C61H64N12O5S and a molecular weight of 1077.33 g/mol. Its IUPAC name is N,N-diethyl-3-methyl-1-(2-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-ethyl-3-methyl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;methyl 1-(2-cyanoethyl)-6-(2-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: N,N-diethyl-3-methyl-1-(2-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-ethyl-3-methyl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;methyl 1-(2-cyanoethyl)-6-(2-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
• PubChem CID: 159982222
• Molecular Formula: C61H64N12O5S
• Molecular Weight: 1077.33 g/mol
• Exact Mass: 1076.48
• IUPAC Name: N,N-diethyl-3-methyl-1-(2-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-ethyl-3-methyl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;methyl 1-(2-cyanoethyl)-6-(2-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
• SMILES: CCN(CC)C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1C.CCNC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C(C)C.COC(=O)c1cc(-c2ccccc2OC)nc2c1c(C)nn2CCC#N
• InChI: InChI=1S/C23H24N4OS.C19H18N4O3.C19H22N4O/c1-5-26(6-2)23(28)17-14-18(20-12-9-13-29-20)24-22-21(17)16(4)25-27(22)19-11-8-7-10-15(19)3;1-12-17-14(19(24)26-3)11-15(13-7-4-5-8-16(13)25-2)21-18(17)23(22-12)10-6-9-20;1-5-20-19(24)15-11-16(14-9-7-6-8-10-14)21-18-17(15)13(4)22-23(18)12(2)3/h7-14H,5-6H2,1-4H3;4-5,7-8,11H,6,10H2,1-3H3;6-12H,5H2,1-4H3,(H,20,24)
• InChIKey: OFXKXXVVBHYRKG-UHFFFAOYSA-N
• XLogP: 12.10
• TPSA: 200.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1077.33
LogP ≤ 5	12.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-methyl-1-(2-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-ethyl-3-methyl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;methyl 1-(2-cyanoethyl)-6-(2-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?

The IUPAC name of N,N-diethyl-3-methyl-1-(2-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-ethyl-3-methyl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;methyl 1-(2-cyanoethyl)-6-(2-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 159982222) is N,N-diethyl-3-methyl-1-(2-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-ethyl-3-methyl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;methyl 1-(2-cyanoethyl)-6-(2-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate.

What is the SMILES notation for N,N-diethyl-3-methyl-1-(2-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-ethyl-3-methyl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;methyl 1-(2-cyanoethyl)-6-(2-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?

The canonical SMILES for N,N-diethyl-3-methyl-1-(2-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-ethyl-3-methyl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;methyl 1-(2-cyanoethyl)-6-(2-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate is CCN(CC)C(=O)c1cc(-c2cccs2)nc2c1c(C)nn2-c1ccccc1C.CCNC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2C(C)C.COC(=O)c1cc(-c2ccccc2OC)nc2c1c(C)nn2CCC#N.

What is the InChIKey of N,N-diethyl-3-methyl-1-(2-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-ethyl-3-methyl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;methyl 1-(2-cyanoethyl)-6-(2-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?

The InChIKey is OFXKXXVVBHYRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4OS.C19H18N4O3.C19H22N4O/c1-5-26(6-2)23(28)17-14-18(20-12-9-13-29-20)24-22-21(17)16(4)25-27(22)19-11-8-7-10-15(19)3;1-12-17-14(19(24)26-3)11-15(13-7-4-5-8-16(13)25-2)21-18(17)23(22-12)10-6-9-20;1-5-20-19(24)15-11-16(14-9-7-6-8-10-14)21-18-17(15)13(4)22-23(18)12(2)3/h7-14H,5-6H2,1-4H3;4-5,7-8,11H,6,10H2,1-3H3;6-12H,5H2,1-4H3,(H,20,24).

What are the key properties of N,N-diethyl-3-methyl-1-(2-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-ethyl-3-methyl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;methyl 1-(2-cyanoethyl)-6-(2-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate?

N,N-diethyl-3-methyl-1-(2-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-ethyl-3-methyl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;methyl 1-(2-cyanoethyl)-6-(2-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 1077.33 g/mol, XLogP of 12.10, 14 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diethyl-3-methyl-1-(2-methylphenyl)-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;N-ethyl-3-methyl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide;methyl 1-(2-cyanoethyl)-6-(2-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 159982222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).