3-amino-1-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-1-yl]propan-1-one;1-(4-chlorophenyl)-4-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine;4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;ethyl 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-1-carboxylate

C111H114Cl6N24O8 — CID 158616444

About 3-amino-1-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-1-yl]propan-1-one;1-(4-chlorophenyl)-4-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine;4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;ethyl 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-1-carboxylate

3-amino-1-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-1-yl]propan-1-one;1-(4-chlorophenyl)-4-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine;4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;ethyl 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-1-carboxylate (PubChem CID 158616444) has the molecular formula C111H114Cl6N24O8 and a molecular weight of 2125.01 g/mol. Its IUPAC name is 3-amino-1-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-1-yl]propan-1-one;1-(4-chlorophenyl)-4-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine;4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;ethyl 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-1-carboxylate.

Molecular Properties

• Compound Name: 3-amino-1-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-1-yl]propan-1-one;1-(4-chlorophenyl)-4-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine;4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;ethyl 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-1-carboxylate
• PubChem CID: 158616444
• Molecular Formula: C111H114Cl6N24O8
• Molecular Weight: 2125.01 g/mol
• Exact Mass: 2120.74
• IUPAC Name: 3-amino-1-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-1-yl]propan-1-one;1-(4-chlorophenyl)-4-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine;4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;ethyl 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-1-carboxylate
• SMILES: CCOC(=O)N1CCC(c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1.CN(C)C(=O)N1CCC(c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1.COc1cncc2c1c(C1CCOCC1)nn2-c1ccc(Cl)cc1.Clc1ccc(-n2cc(C3CCOCC3)c3ncncc32)cc1.Clc1ccc(-n2nc(C3CCOCC3)c3ncncc32)cc1.NCCC(=O)N1CCC(c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1
• InChI: InChI=1S/2C20H22ClN5O.C20H21ClN4O2.C18H18ClN3O2.C17H16ClN3O.C16H15ClN4O/c1-24(2)20(27)25-11-8-14(9-12-25)19-17-7-10-22-13-18(17)26(23-19)16-5-3-15(21)4-6-16;21-15-1-3-16(4-2-15)26-18-13-23-10-6-17(18)20(24-26)14-7-11-25(12-8-14)19(27)5-9-22;1-2-27-20(26)24-11-8-14(9-12-24)19-17-7-10-22-13-18(17)25(23-19)16-5-3-15(21)4-6-16;1-23-16-11-20-10-15-17(16)18(12-6-8-24-9-7-12)21-22(15)14-4-2-13(19)3-5-14;18-13-1-3-14(4-2-13)21-10-15(12-5-7-22-8-6-12)17-16(21)9-19-11-20-17;17-12-1-3-13(4-2-12)21-14-9-18-10-19-16(14)15(20-21)11-5-7-22-8-6-11/h3-7,10,13-14H,8-9,11-12H2,1-2H3;1-4,6,10,13-14H,5,7-9,11-12,22H2;3-7,10,13-14H,2,8-9,11-12H2,1H3;2-5,10-12H,6-9H2,1H3;1-4,9-12H,5-8H2;1-4,9-11H,5-8H2
• InChIKey: HXLIVXDHKJBIID-UHFFFAOYSA-N
• XLogP: 22.78
• TPSA: 333.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 16
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2125.01
LogP ≤ 5	22.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-1-yl]propan-1-one;1-(4-chlorophenyl)-4-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine;4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;ethyl 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-1-carboxylate?

The IUPAC name of 3-amino-1-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-1-yl]propan-1-one;1-(4-chlorophenyl)-4-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine;4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;ethyl 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-1-carboxylate (CID 158616444) is 3-amino-1-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-1-yl]propan-1-one;1-(4-chlorophenyl)-4-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine;4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;ethyl 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-1-carboxylate.

What is the SMILES notation for 3-amino-1-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-1-yl]propan-1-one;1-(4-chlorophenyl)-4-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine;4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;ethyl 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-1-carboxylate?

The canonical SMILES for 3-amino-1-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-1-yl]propan-1-one;1-(4-chlorophenyl)-4-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine;4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;ethyl 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1.CN(C)C(=O)N1CCC(c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1.COc1cncc2c1c(C1CCOCC1)nn2-c1ccc(Cl)cc1.Clc1ccc(-n2cc(C3CCOCC3)c3ncncc32)cc1.Clc1ccc(-n2nc(C3CCOCC3)c3ncncc32)cc1.NCCC(=O)N1CCC(c2nn(-c3ccc(Cl)cc3)c3cnccc23)CC1.

What is the InChIKey of 3-amino-1-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-1-yl]propan-1-one;1-(4-chlorophenyl)-4-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine;4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;ethyl 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-1-carboxylate?

The InChIKey is HXLIVXDHKJBIID-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H22ClN5O.C20H21ClN4O2.C18H18ClN3O2.C17H16ClN3O.C16H15ClN4O/c1-24(2)20(27)25-11-8-14(9-12-25)19-17-7-10-22-13-18(17)26(23-19)16-5-3-15(21)4-6-16;21-15-1-3-16(4-2-15)26-18-13-23-10-6-17(18)20(24-26)14-7-11-25(12-8-14)19(27)5-9-22;1-2-27-20(26)24-11-8-14(9-12-24)19-17-7-10-22-13-18(17)25(23-19)16-5-3-15(21)4-6-16;1-23-16-11-20-10-15-17(16)18(12-6-8-24-9-7-12)21-22(15)14-4-2-13(19)3-5-14;18-13-1-3-14(4-2-13)21-10-15(12-5-7-22-8-6-12)17-16(21)9-19-11-20-17;17-12-1-3-13(4-2-12)21-14-9-18-10-19-16(14)15(20-21)11-5-7-22-8-6-11/h3-7,10,13-14H,8-9,11-12H2,1-2H3;1-4,6,10,13-14H,5,7-9,11-12,22H2;3-7,10,13-14H,2,8-9,11-12H2,1H3;2-5,10-12H,6-9H2,1H3;1-4,9-12H,5-8H2;1-4,9-11H,5-8H2.

What are the key properties of 3-amino-1-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-1-yl]propan-1-one;1-(4-chlorophenyl)-4-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine;4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;ethyl 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-1-carboxylate?

3-amino-1-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-1-yl]propan-1-one;1-(4-chlorophenyl)-4-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine;4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;ethyl 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-1-carboxylate has a molecular weight of 2125.01 g/mol, XLogP of 22.78, 16 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-1-[4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidin-1-yl]propan-1-one;1-(4-chlorophenyl)-4-methoxy-3-(oxan-4-yl)pyrazolo[3,4-c]pyridine;1-(4-chlorophenyl)-3-(oxan-4-yl)pyrazolo[4,3-d]pyrimidine;5-(4-chlorophenyl)-7-(oxan-4-yl)pyrrolo[3,2-d]pyrimidine;4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;ethyl 4-[1-(4-chlorophenyl)pyrazolo[5,4-c]pyridin-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 158616444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).