2-[3-acetyl-5-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid

C19H17N5O3 — CID 126643108

About 2-[3-acetyl-5-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid

2-[3-acetyl-5-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid (PubChem CID 126643108) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is 2-[3-acetyl-5-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[3-acetyl-5-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid
• PubChem CID: 126643108
• Molecular Formula: C19H17N5O3
• Molecular Weight: 363.38 g/mol
• Exact Mass: 363.13
• IUPAC Name: 2-[3-acetyl-5-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid
• SMILES: CCc1cc2ncc(-c3ccc4c(c3)c(C(C)=O)nn4CC(=O)O)cn2n1
• InChI: InChI=1S/C19H17N5O3/c1-3-14-7-17-20-8-13(9-24(17)21-14)12-4-5-16-15(6-12)19(11(2)25)22-23(16)10-18(26)27/h4-9H,3,10H2,1-2H3,(H,26,27)
• InChIKey: RIWSOEPIHGUKTL-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 102.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.38
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-5-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid?

The IUPAC name of 2-[3-acetyl-5-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid (CID 126643108) is 2-[3-acetyl-5-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid.

What is the SMILES notation for 2-[3-acetyl-5-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid?

The canonical SMILES for 2-[3-acetyl-5-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid is CCc1cc2ncc(-c3ccc4c(c3)c(C(C)=O)nn4CC(=O)O)cn2n1.

What is the InChIKey of 2-[3-acetyl-5-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid?

The InChIKey is RIWSOEPIHGUKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-3-14-7-17-20-8-13(9-24(17)21-14)12-4-5-16-15(6-12)19(11(2)25)22-23(16)10-18(26)27/h4-9H,3,10H2,1-2H3,(H,26,27).

What are the key properties of 2-[3-acetyl-5-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid?

2-[3-acetyl-5-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid has a molecular weight of 363.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-acetyl-5-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid is sourced from PubChem (CID 126643108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).