1-[2-(2-methyl-1,8-naphthyridin-3-yl)ethyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid

C20H24N4O3 — CID 139422177

About 1-[2-(2-methyl-1,8-naphthyridin-3-yl)ethyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid

1-[2-(2-methyl-1,8-naphthyridin-3-yl)ethyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid (PubChem CID 139422177) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-[2-(2-methyl-1,8-naphthyridin-3-yl)ethyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid.

Molecular Properties

• Compound Name: 1-[2-(2-methyl-1,8-naphthyridin-3-yl)ethyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid
• PubChem CID: 139422177
• Molecular Formula: C20H24N4O3
• Molecular Weight: 368.44 g/mol
• Exact Mass: 368.18
• IUPAC Name: 1-[2-(2-methyl-1,8-naphthyridin-3-yl)ethyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid
• SMILES: Cc1nc2ncccc2cc1CCn1cc(C(=O)O)c(COC(C)(C)C)n1
• InChI: InChI=1S/C20H24N4O3/c1-13-14(10-15-6-5-8-21-18(15)22-13)7-9-24-11-16(19(25)26)17(23-24)12-27-20(2,3)4/h5-6,8,10-11H,7,9,12H2,1-4H3,(H,25,26)
• InChIKey: QPNZJNNUAIGNLM-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 90.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.44
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-1,8-naphthyridin-3-yl)ethyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid?

The IUPAC name of 1-[2-(2-methyl-1,8-naphthyridin-3-yl)ethyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid (CID 139422177) is 1-[2-(2-methyl-1,8-naphthyridin-3-yl)ethyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid.

What is the SMILES notation for 1-[2-(2-methyl-1,8-naphthyridin-3-yl)ethyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid?

The canonical SMILES for 1-[2-(2-methyl-1,8-naphthyridin-3-yl)ethyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid is Cc1nc2ncccc2cc1CCn1cc(C(=O)O)c(COC(C)(C)C)n1.

What is the InChIKey of 1-[2-(2-methyl-1,8-naphthyridin-3-yl)ethyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid?

The InChIKey is QPNZJNNUAIGNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-13-14(10-15-6-5-8-21-18(15)22-13)7-9-24-11-16(19(25)26)17(23-24)12-27-20(2,3)4/h5-6,8,10-11H,7,9,12H2,1-4H3,(H,25,26).

What are the key properties of 1-[2-(2-methyl-1,8-naphthyridin-3-yl)ethyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid?

1-[2-(2-methyl-1,8-naphthyridin-3-yl)ethyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid has a molecular weight of 368.44 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2-methyl-1,8-naphthyridin-3-yl)ethyl]-3-[(2-methylpropan-2-yl)oxymethyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 139422177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).