2-[3-acetyl-5-[2-(cyclopropylamino)pyrimidin-5-yl]indazol-1-yl]acetic acid

C18H17N5O3 — CID 126623374

IUPAC2-[3-acetyl-5-[2-(cyclopropylamino)pyrimidin-5-yl]indazol-1-yl]acetic acid
SMILESCC(=O)c1nn(CC(=O)O)c2ccc(-c3cnc(NC4CC4)nc3)cc12
InChIInChI=1S/C18H17N5O3/c1-10(24)17-14-6-11(2-5-15(14)23(22-17)9-16(25)26)12-7-19-18(20-8-12)21-13-3-4-13/h2,5-8,13H,3-4,9H2,1H3,(H,25,26)(H,19,20,21)
InChIKeyAYSDYXLEIZNXJT-UHFFFAOYSA-N
MW351.37 g/mol
LogP2.35
Rot. Bonds6

About 2-[3-acetyl-5-[2-(cyclopropylamino)pyrimidin-5-yl]indazol-1-yl]acetic acid

2-[3-acetyl-5-[2-(cyclopropylamino)pyrimidin-5-yl]indazol-1-yl]acetic acid (PubChem CID 126623374) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is 2-[3-acetyl-5-[2-(cyclopropylamino)pyrimidin-5-yl]indazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-acetyl-5-[2-(cyclopropylamino)pyrimidin-5-yl]indazol-1-yl]acetic acid
PubChem CID126623374
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name2-[3-acetyl-5-[2-(cyclopropylamino)pyrimidin-5-yl]indazol-1-yl]acetic acid
SMILESCC(=O)c1nn(CC(=O)O)c2ccc(-c3cnc(NC4CC4)nc3)cc12
InChIInChI=1S/C18H17N5O3/c1-10(24)17-14-6-11(2-5-15(14)23(22-17)9-16(25)26)12-7-19-18(20-8-12)21-13-3-4-13/h2,5-8,13H,3-4,9H2,1H3,(H,25,26)(H,19,20,21)
InChIKeyAYSDYXLEIZNXJT-UHFFFAOYSA-N
XLogP2.35
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-5-[2-(cyclopropylamino)pyrimidin-5-yl]indazol-1-yl]acetic acid?
The IUPAC name of 2-[3-acetyl-5-[2-(cyclopropylamino)pyrimidin-5-yl]indazol-1-yl]acetic acid (CID 126623374) is 2-[3-acetyl-5-[2-(cyclopropylamino)pyrimidin-5-yl]indazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-acetyl-5-[2-(cyclopropylamino)pyrimidin-5-yl]indazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-acetyl-5-[2-(cyclopropylamino)pyrimidin-5-yl]indazol-1-yl]acetic acid is CC(=O)c1nn(CC(=O)O)c2ccc(-c3cnc(NC4CC4)nc3)cc12.
What is the InChIKey of 2-[3-acetyl-5-[2-(cyclopropylamino)pyrimidin-5-yl]indazol-1-yl]acetic acid?
The InChIKey is AYSDYXLEIZNXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-10(24)17-14-6-11(2-5-15(14)23(22-17)9-16(25)26)12-7-19-18(20-8-12)21-13-3-4-13/h2,5-8,13H,3-4,9H2,1H3,(H,25,26)(H,19,20,21).
What are the key properties of 2-[3-acetyl-5-[2-(cyclopropylamino)pyrimidin-5-yl]indazol-1-yl]acetic acid?
2-[3-acetyl-5-[2-(cyclopropylamino)pyrimidin-5-yl]indazol-1-yl]acetic acid has a molecular weight of 351.37 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-acetyl-5-[2-(cyclopropylamino)pyrimidin-5-yl]indazol-1-yl]acetic acid is sourced from PubChem (CID 126623374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).