(2-methylpyrimidin-5-yl) 1H-indazole-3-carboxylate

C13H10N4O2 — CID 162459710

IUPAC(2-methylpyrimidin-5-yl) 1H-indazole-3-carboxylate
SMILESCc1ncc(OC(=O)c2n[nH]c3ccccc23)cn1
InChIInChI=1S/C13H10N4O2/c1-8-14-6-9(7-15-8)19-13(18)12-10-4-2-3-5-11(10)16-17-12/h2-7H,1H3,(H,16,17)
InChIKeyPGLRRDOORKSSMR-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.88
Rot. Bonds2

About (2-methylpyrimidin-5-yl) 1H-indazole-3-carboxylate

(2-methylpyrimidin-5-yl) 1H-indazole-3-carboxylate (PubChem CID 162459710) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is (2-methylpyrimidin-5-yl) 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name(2-methylpyrimidin-5-yl) 1H-indazole-3-carboxylate
PubChem CID162459710
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name(2-methylpyrimidin-5-yl) 1H-indazole-3-carboxylate
SMILESCc1ncc(OC(=O)c2n[nH]c3ccccc23)cn1
InChIInChI=1S/C13H10N4O2/c1-8-14-6-9(7-15-8)19-13(18)12-10-4-2-3-5-11(10)16-17-12/h2-7H,1H3,(H,16,17)
InChIKeyPGLRRDOORKSSMR-UHFFFAOYSA-N
XLogP1.88
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide
CID 154796255
1-(1H-indazol-3-yl)ethanone
CID 15684169
3-methylbutyl 1H-indazole-3-carboxylate
CID 46638341
[2-(4-ethoxyanilino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2346483
ethyl 2-(1H-indazol-3-yl)-2-oxoacetate
CID 70319285
N-(2-phenoxyethyl)-1H-indazole-3-carboxamide
CID 27758329
N-methoxy-1H-indazole-3-carboxamide
CID 60722689
(1-oxo-1-phenylpropan-2-yl) 1H-indazole-3-carboxylate
CID 16578204
[2-(diethylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2534560
N-[(2R)-1-(4-methylphenoxy)propan-2-yl]-1H-indazole-3-carboxamide
CID 52777916
[2-(tert-butylamino)-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2534563
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 7372650

Frequently Asked Questions

What is the IUPAC name of (2-methylpyrimidin-5-yl) 1H-indazole-3-carboxylate?
The IUPAC name of (2-methylpyrimidin-5-yl) 1H-indazole-3-carboxylate (CID 162459710) is (2-methylpyrimidin-5-yl) 1H-indazole-3-carboxylate.
What is the SMILES notation for (2-methylpyrimidin-5-yl) 1H-indazole-3-carboxylate?
The canonical SMILES for (2-methylpyrimidin-5-yl) 1H-indazole-3-carboxylate is Cc1ncc(OC(=O)c2n[nH]c3ccccc23)cn1.
What is the InChIKey of (2-methylpyrimidin-5-yl) 1H-indazole-3-carboxylate?
The InChIKey is PGLRRDOORKSSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c1-8-14-6-9(7-15-8)19-13(18)12-10-4-2-3-5-11(10)16-17-12/h2-7H,1H3,(H,16,17).
What are the key properties of (2-methylpyrimidin-5-yl) 1H-indazole-3-carboxylate?
(2-methylpyrimidin-5-yl) 1H-indazole-3-carboxylate has a molecular weight of 254.25 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrimidin-5-yl) 1H-indazole-3-carboxylate is sourced from PubChem (CID 162459710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).