tert-butyl 4-[4-chloro-5-[(4-chlorophenyl)carbamoyl]-3-methylpyrazolo[3,4-b]pyridin-1-yl]piperidine-1-carboxylate;4-chloro-N-(4-chlorophenyl)-3-methyl-1-piperidin-4-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C43H46Cl4N10O4 — CID 158310774

About tert-butyl 4-[4-chloro-5-[(4-chlorophenyl)carbamoyl]-3-methylpyrazolo[3,4-b]pyridin-1-yl]piperidine-1-carboxylate;4-chloro-N-(4-chlorophenyl)-3-methyl-1-piperidin-4-ylpyrazolo[3,4-b]pyridine-5-carboxamide

tert-butyl 4-[4-chloro-5-[(4-chlorophenyl)carbamoyl]-3-methylpyrazolo[3,4-b]pyridin-1-yl]piperidine-1-carboxylate;4-chloro-N-(4-chlorophenyl)-3-methyl-1-piperidin-4-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 158310774) has the molecular formula C43H46Cl4N10O4 and a molecular weight of 908.72 g/mol. Its IUPAC name is tert-butyl 4-[4-chloro-5-[(4-chlorophenyl)carbamoyl]-3-methylpyrazolo[3,4-b]pyridin-1-yl]piperidine-1-carboxylate;4-chloro-N-(4-chlorophenyl)-3-methyl-1-piperidin-4-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: tert-butyl 4-[4-chloro-5-[(4-chlorophenyl)carbamoyl]-3-methylpyrazolo[3,4-b]pyridin-1-yl]piperidine-1-carboxylate;4-chloro-N-(4-chlorophenyl)-3-methyl-1-piperidin-4-ylpyrazolo[3,4-b]pyridine-5-carboxamide
• PubChem CID: 158310774
• Molecular Formula: C43H46Cl4N10O4
• Molecular Weight: 908.72 g/mol
• Exact Mass: 906.25
• IUPAC Name: tert-butyl 4-[4-chloro-5-[(4-chlorophenyl)carbamoyl]-3-methylpyrazolo[3,4-b]pyridin-1-yl]piperidine-1-carboxylate;4-chloro-N-(4-chlorophenyl)-3-methyl-1-piperidin-4-ylpyrazolo[3,4-b]pyridine-5-carboxamide
• SMILES: Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.Cc1nn(C2CCNCC2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12
• InChI: InChI=1S/C24H27Cl2N5O3.C19H19Cl2N5O/c1-14-19-20(26)18(22(32)28-16-7-5-15(25)6-8-16)13-27-21(19)31(29-14)17-9-11-30(12-10-17)23(33)34-24(2,3)4;1-11-16-17(21)15(19(27)24-13-4-2-12(20)3-5-13)10-23-18(16)26(25-11)14-6-8-22-9-7-14/h5-8,13,17H,9-12H2,1-4H3,(H,28,32);2-5,10,14,22H,6-9H2,1H3,(H,24,27)
• InChIKey: GNQQGMTYUXZZDP-UHFFFAOYSA-N
• XLogP: 10.09
• TPSA: 161.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	908.72
LogP ≤ 5	10.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-chloro-5-[(4-chlorophenyl)carbamoyl]-3-methylpyrazolo[3,4-b]pyridin-1-yl]piperidine-1-carboxylate;4-chloro-N-(4-chlorophenyl)-3-methyl-1-piperidin-4-ylpyrazolo[3,4-b]pyridine-5-carboxamide?

The IUPAC name of tert-butyl 4-[4-chloro-5-[(4-chlorophenyl)carbamoyl]-3-methylpyrazolo[3,4-b]pyridin-1-yl]piperidine-1-carboxylate;4-chloro-N-(4-chlorophenyl)-3-methyl-1-piperidin-4-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 158310774) is tert-butyl 4-[4-chloro-5-[(4-chlorophenyl)carbamoyl]-3-methylpyrazolo[3,4-b]pyridin-1-yl]piperidine-1-carboxylate;4-chloro-N-(4-chlorophenyl)-3-methyl-1-piperidin-4-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

What is the SMILES notation for tert-butyl 4-[4-chloro-5-[(4-chlorophenyl)carbamoyl]-3-methylpyrazolo[3,4-b]pyridin-1-yl]piperidine-1-carboxylate;4-chloro-N-(4-chlorophenyl)-3-methyl-1-piperidin-4-ylpyrazolo[3,4-b]pyridine-5-carboxamide?

The canonical SMILES for tert-butyl 4-[4-chloro-5-[(4-chlorophenyl)carbamoyl]-3-methylpyrazolo[3,4-b]pyridin-1-yl]piperidine-1-carboxylate;4-chloro-N-(4-chlorophenyl)-3-methyl-1-piperidin-4-ylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nn(C2CCN(C(=O)OC(C)(C)C)CC2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.Cc1nn(C2CCNCC2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.

What is the InChIKey of tert-butyl 4-[4-chloro-5-[(4-chlorophenyl)carbamoyl]-3-methylpyrazolo[3,4-b]pyridin-1-yl]piperidine-1-carboxylate;4-chloro-N-(4-chlorophenyl)-3-methyl-1-piperidin-4-ylpyrazolo[3,4-b]pyridine-5-carboxamide?

The InChIKey is GNQQGMTYUXZZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N5O3.C19H19Cl2N5O/c1-14-19-20(26)18(22(32)28-16-7-5-15(25)6-8-16)13-27-21(19)31(29-14)17-9-11-30(12-10-17)23(33)34-24(2,3)4;1-11-16-17(21)15(19(27)24-13-4-2-12(20)3-5-13)10-23-18(16)26(25-11)14-6-8-22-9-7-14/h5-8,13,17H,9-12H2,1-4H3,(H,28,32);2-5,10,14,22H,6-9H2,1H3,(H,24,27).

What are the key properties of tert-butyl 4-[4-chloro-5-[(4-chlorophenyl)carbamoyl]-3-methylpyrazolo[3,4-b]pyridin-1-yl]piperidine-1-carboxylate;4-chloro-N-(4-chlorophenyl)-3-methyl-1-piperidin-4-ylpyrazolo[3,4-b]pyridine-5-carboxamide?

tert-butyl 4-[4-chloro-5-[(4-chlorophenyl)carbamoyl]-3-methylpyrazolo[3,4-b]pyridin-1-yl]piperidine-1-carboxylate;4-chloro-N-(4-chlorophenyl)-3-methyl-1-piperidin-4-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 908.72 g/mol, XLogP of 10.09, 6 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[4-chloro-5-[(4-chlorophenyl)carbamoyl]-3-methylpyrazolo[3,4-b]pyridin-1-yl]piperidine-1-carboxylate;4-chloro-N-(4-chlorophenyl)-3-methyl-1-piperidin-4-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 158310774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).