2-[3-(methylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid

C16H15N5O3 — CID 126623337

IUPAC2-[3-(methylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid
SMILESCNC(=O)c1nn(CC(=O)O)c2ccc(-c3cnc(C)nc3)cc12
InChIInChI=1S/C16H15N5O3/c1-9-18-6-11(7-19-9)10-3-4-13-12(5-10)15(16(24)17-2)20-21(13)8-14(22)23/h3-7H,8H2,1-2H3,(H,17,24)(H,22,23)
InChIKeyCFAJIUUJHOTPQD-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.25
Rot. Bonds4

About 2-[3-(methylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid

2-[3-(methylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid (PubChem CID 126623337) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is 2-[3-(methylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(methylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid
PubChem CID126623337
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Name2-[3-(methylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid
SMILESCNC(=O)c1nn(CC(=O)O)c2ccc(-c3cnc(C)nc3)cc12
InChIInChI=1S/C16H15N5O3/c1-9-18-6-11(7-19-9)10-3-4-13-12(5-10)15(16(24)17-2)20-21(13)8-14(22)23/h3-7H,8H2,1-2H3,(H,17,24)(H,22,23)
InChIKeyCFAJIUUJHOTPQD-UHFFFAOYSA-N
XLogP1.25
TPSA110.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid?
The IUPAC name of 2-[3-(methylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid (CID 126623337) is 2-[3-(methylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(methylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(methylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid is CNC(=O)c1nn(CC(=O)O)c2ccc(-c3cnc(C)nc3)cc12.
What is the InChIKey of 2-[3-(methylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid?
The InChIKey is CFAJIUUJHOTPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-9-18-6-11(7-19-9)10-3-4-13-12(5-10)15(16(24)17-2)20-21(13)8-14(22)23/h3-7H,8H2,1-2H3,(H,17,24)(H,22,23).
What are the key properties of 2-[3-(methylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid?
2-[3-(methylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid has a molecular weight of 325.33 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylcarbamoyl)-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetic acid is sourced from PubChem (CID 126623337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).