4-chloro-N-[2-chloro-4-[[4-chloro-5-[(3-chlorophenyl)carbamoyl]-1-methylpyrazolo[3,4-b]pyridin-3-yl]methyl]phenyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide

C30H22Cl4N8O2 — CID 146779326

About 4-chloro-N-[2-chloro-4-[[4-chloro-5-[(3-chlorophenyl)carbamoyl]-1-methylpyrazolo[3,4-b]pyridin-3-yl]methyl]phenyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide

4-chloro-N-[2-chloro-4-[[4-chloro-5-[(3-chlorophenyl)carbamoyl]-1-methylpyrazolo[3,4-b]pyridin-3-yl]methyl]phenyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 146779326) has the molecular formula C30H22Cl4N8O2 and a molecular weight of 668.37 g/mol. Its IUPAC name is 4-chloro-N-[2-chloro-4-[[4-chloro-5-[(3-chlorophenyl)carbamoyl]-1-methylpyrazolo[3,4-b]pyridin-3-yl]methyl]phenyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 4-chloro-N-[2-chloro-4-[[4-chloro-5-[(3-chlorophenyl)carbamoyl]-1-methylpyrazolo[3,4-b]pyridin-3-yl]methyl]phenyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
• PubChem CID: 146779326
• Molecular Formula: C30H22Cl4N8O2
• Molecular Weight: 668.37 g/mol
• Exact Mass: 666.06
• IUPAC Name: 4-chloro-N-[2-chloro-4-[[4-chloro-5-[(3-chlorophenyl)carbamoyl]-1-methylpyrazolo[3,4-b]pyridin-3-yl]methyl]phenyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
• SMILES: Cc1nn(C)c2ncc(C(=O)Nc3ccc(Cc4nn(C)c5ncc(C(=O)Nc6cccc(Cl)c6)c(Cl)c45)cc3Cl)c(Cl)c12
• InChI: InChI=1S/C30H22Cl4N8O2/c1-14-23-25(33)18(12-35-27(23)41(2)39-14)30(44)38-21-8-7-15(9-20(21)32)10-22-24-26(34)19(13-36-28(24)42(3)40-22)29(43)37-17-6-4-5-16(31)11-17/h4-9,11-13H,10H2,1-3H3,(H,37,43)(H,38,44)
• InChIKey: RTIVRLYKJIXVPG-UHFFFAOYSA-N
• XLogP: 7.27
• TPSA: 119.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	668.37
LogP ≤ 5	7.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-chloro-4-[[4-chloro-5-[(3-chlorophenyl)carbamoyl]-1-methylpyrazolo[3,4-b]pyridin-3-yl]methyl]phenyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide?

The IUPAC name of 4-chloro-N-[2-chloro-4-[[4-chloro-5-[(3-chlorophenyl)carbamoyl]-1-methylpyrazolo[3,4-b]pyridin-3-yl]methyl]phenyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 146779326) is 4-chloro-N-[2-chloro-4-[[4-chloro-5-[(3-chlorophenyl)carbamoyl]-1-methylpyrazolo[3,4-b]pyridin-3-yl]methyl]phenyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide.

What is the SMILES notation for 4-chloro-N-[2-chloro-4-[[4-chloro-5-[(3-chlorophenyl)carbamoyl]-1-methylpyrazolo[3,4-b]pyridin-3-yl]methyl]phenyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide?

The canonical SMILES for 4-chloro-N-[2-chloro-4-[[4-chloro-5-[(3-chlorophenyl)carbamoyl]-1-methylpyrazolo[3,4-b]pyridin-3-yl]methyl]phenyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nn(C)c2ncc(C(=O)Nc3ccc(Cc4nn(C)c5ncc(C(=O)Nc6cccc(Cl)c6)c(Cl)c45)cc3Cl)c(Cl)c12.

What is the InChIKey of 4-chloro-N-[2-chloro-4-[[4-chloro-5-[(3-chlorophenyl)carbamoyl]-1-methylpyrazolo[3,4-b]pyridin-3-yl]methyl]phenyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide?

The InChIKey is RTIVRLYKJIXVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22Cl4N8O2/c1-14-23-25(33)18(12-35-27(23)41(2)39-14)30(44)38-21-8-7-15(9-20(21)32)10-22-24-26(34)19(13-36-28(24)42(3)40-22)29(43)37-17-6-4-5-16(31)11-17/h4-9,11-13H,10H2,1-3H3,(H,37,43)(H,38,44).

What are the key properties of 4-chloro-N-[2-chloro-4-[[4-chloro-5-[(3-chlorophenyl)carbamoyl]-1-methylpyrazolo[3,4-b]pyridin-3-yl]methyl]phenyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide?

4-chloro-N-[2-chloro-4-[[4-chloro-5-[(3-chlorophenyl)carbamoyl]-1-methylpyrazolo[3,4-b]pyridin-3-yl]methyl]phenyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 668.37 g/mol, XLogP of 7.27, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[2-chloro-4-[[4-chloro-5-[(3-chlorophenyl)carbamoyl]-1-methylpyrazolo[3,4-b]pyridin-3-yl]methyl]phenyl]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 146779326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).