N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C22H20ClN5O3 — CID 55991899

About N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 55991899) has the molecular formula C22H20ClN5O3 and a molecular weight of 437.89 g/mol. Its IUPAC name is N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
• PubChem CID: 55991899
• Molecular Formula: C22H20ClN5O3
• Molecular Weight: 437.89 g/mol
• Exact Mass: 437.13
• IUPAC Name: N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
• SMILES: Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1
• InChI: InChI=1S/C22H20ClN5O3/c1-12(2)28-20-14(11-24-28)9-16(13(3)25-20)21(29)26-17-7-6-15(23)10-18(17)27-22(30)19-5-4-8-31-19/h4-12H,1-3H3,(H,26,29)(H,27,30)
• InChIKey: GPIIJUXTNRNPLS-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 102.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	437.89
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?

The IUPAC name of N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 55991899) is N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

What is the SMILES notation for N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?

The canonical SMILES for N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1.

What is the InChIKey of N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?

The InChIKey is GPIIJUXTNRNPLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O3/c1-12(2)28-20-14(11-24-28)9-16(13(3)25-20)21(29)26-17-7-6-15(23)10-18(17)27-22(30)19-5-4-8-31-19/h4-12H,1-3H3,(H,26,29)(H,27,30).

What are the key properties of N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?

N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 437.89 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 55991899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).