[4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-[3-(dimethylamino)propyl]carbamic acid

C26H30N6O5 — CID 130194443

About [4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-[3-(dimethylamino)propyl]carbamic acid

[4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-[3-(dimethylamino)propyl]carbamic acid (PubChem CID 130194443) has the molecular formula C26H30N6O5 and a molecular weight of 506.56 g/mol. Its IUPAC name is [4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-[3-(dimethylamino)propyl]carbamic acid.

Molecular Properties

• Compound Name: [4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-[3-(dimethylamino)propyl]carbamic acid
• PubChem CID: 130194443
• Molecular Formula: C26H30N6O5
• Molecular Weight: 506.56 g/mol
• Exact Mass: 506.23
• IUPAC Name: [4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-[3-(dimethylamino)propyl]carbamic acid
• SMILES: COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N(CCCN(C)C)C(=O)O)cc2)CC3)cc1
• InChI: InChI=1S/C26H30N6O5/c1-29(2)14-4-15-31(26(35)36)18-7-5-17(6-8-18)30-16-13-21-22(24(27)33)28-32(23(21)25(30)34)19-9-11-20(37-3)12-10-19/h5-12H,4,13-16H2,1-3H3,(H2,27,33)(H,35,36)
• InChIKey: PCRTWWJUCVIZJV-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 134.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.56
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-[3-(dimethylamino)propyl]carbamic acid?

The IUPAC name of [4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-[3-(dimethylamino)propyl]carbamic acid (CID 130194443) is [4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-[3-(dimethylamino)propyl]carbamic acid.

What is the SMILES notation for [4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-[3-(dimethylamino)propyl]carbamic acid?

The canonical SMILES for [4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-[3-(dimethylamino)propyl]carbamic acid is COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N(CCCN(C)C)C(=O)O)cc2)CC3)cc1.

What is the InChIKey of [4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-[3-(dimethylamino)propyl]carbamic acid?

The InChIKey is PCRTWWJUCVIZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O5/c1-29(2)14-4-15-31(26(35)36)18-7-5-17(6-8-18)30-16-13-21-22(24(27)33)28-32(23(21)25(30)34)19-9-11-20(37-3)12-10-19/h5-12H,4,13-16H2,1-3H3,(H2,27,33)(H,35,36).

What are the key properties of [4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-[3-(dimethylamino)propyl]carbamic acid?

[4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-[3-(dimethylamino)propyl]carbamic acid has a molecular weight of 506.56 g/mol, XLogP of 2.62, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-carbamoyl-1-(4-methoxyphenyl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-[3-(dimethylamino)propyl]carbamic acid is sourced from PubChem (CID 130194443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).