1-[1-carbamoyl-3-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]pyrazol-5-yl]-4,6-dimethyl-2-oxopyridine-3-carboxylic acid

C24H25N7O5 — CID 173046927

About 1-[1-carbamoyl-3-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]pyrazol-5-yl]-4,6-dimethyl-2-oxopyridine-3-carboxylic acid

1-[1-carbamoyl-3-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]pyrazol-5-yl]-4,6-dimethyl-2-oxopyridine-3-carboxylic acid (PubChem CID 173046927) has the molecular formula C24H25N7O5 and a molecular weight of 491.51 g/mol. Its IUPAC name is 1-[1-carbamoyl-3-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]pyrazol-5-yl]-4,6-dimethyl-2-oxopyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-[1-carbamoyl-3-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]pyrazol-5-yl]-4,6-dimethyl-2-oxopyridine-3-carboxylic acid
• PubChem CID: 173046927
• Molecular Formula: C24H25N7O5
• Molecular Weight: 491.51 g/mol
• Exact Mass: 491.19
• IUPAC Name: 1-[1-carbamoyl-3-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]pyrazol-5-yl]-4,6-dimethyl-2-oxopyridine-3-carboxylic acid
• SMILES: Cc1cc(C)n(-c2cc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)nn2C(N)=O)c(=O)c1C(=O)O
• InChI: InChI=1S/C24H25N7O5/c1-13-9-14(2)30(22(32)20(13)23(33)34)19-11-18(28-31(19)24(25)35)21-26-16-4-3-15(10-17(16)27-21)12-29-5-7-36-8-6-29/h3-4,9-11H,5-8,12H2,1-2H3,(H2,25,35)(H,26,27)(H,33,34)
• InChIKey: PKAPRINATIEADF-UHFFFAOYSA-N
• XLogP: 1.65
• TPSA: 161.36 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.51
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[1-carbamoyl-3-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]pyrazol-5-yl]-4,6-dimethyl-2-oxopyridine-3-carboxylic acid?

The IUPAC name of 1-[1-carbamoyl-3-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]pyrazol-5-yl]-4,6-dimethyl-2-oxopyridine-3-carboxylic acid (CID 173046927) is 1-[1-carbamoyl-3-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]pyrazol-5-yl]-4,6-dimethyl-2-oxopyridine-3-carboxylic acid.

What is the SMILES notation for 1-[1-carbamoyl-3-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]pyrazol-5-yl]-4,6-dimethyl-2-oxopyridine-3-carboxylic acid?

The canonical SMILES for 1-[1-carbamoyl-3-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]pyrazol-5-yl]-4,6-dimethyl-2-oxopyridine-3-carboxylic acid is Cc1cc(C)n(-c2cc(-c3nc4ccc(CN5CCOCC5)cc4[nH]3)nn2C(N)=O)c(=O)c1C(=O)O.

What is the InChIKey of 1-[1-carbamoyl-3-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]pyrazol-5-yl]-4,6-dimethyl-2-oxopyridine-3-carboxylic acid?

The InChIKey is PKAPRINATIEADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O5/c1-13-9-14(2)30(22(32)20(13)23(33)34)19-11-18(28-31(19)24(25)35)21-26-16-4-3-15(10-17(16)27-21)12-29-5-7-36-8-6-29/h3-4,9-11H,5-8,12H2,1-2H3,(H2,25,35)(H,26,27)(H,33,34).

What are the key properties of 1-[1-carbamoyl-3-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]pyrazol-5-yl]-4,6-dimethyl-2-oxopyridine-3-carboxylic acid?

1-[1-carbamoyl-3-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]pyrazol-5-yl]-4,6-dimethyl-2-oxopyridine-3-carboxylic acid has a molecular weight of 491.51 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-carbamoyl-3-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]pyrazol-5-yl]-4,6-dimethyl-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 173046927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).