methyl 2-[5-(2-methylpyrimidin-5-yl)-1H-indazol-7-yl]acetate

C15H14N4O2 — CID 162768734

IUPACmethyl 2-[5-(2-methylpyrimidin-5-yl)-1H-indazol-7-yl]acetate
SMILESCOC(=O)Cc1cc(-c2cnc(C)nc2)cc2cn[nH]c12
InChIInChI=1S/C15H14N4O2/c1-9-16-6-13(7-17-9)10-3-11(5-14(20)21-2)15-12(4-10)8-18-19-15/h3-4,6-8H,5H2,1-2H3,(H,18,19)
InChIKeyDQJGUVRYTCXZRV-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.04
Rot. Bonds3

About methyl 2-[5-(2-methylpyrimidin-5-yl)-1H-indazol-7-yl]acetate

methyl 2-[5-(2-methylpyrimidin-5-yl)-1H-indazol-7-yl]acetate (PubChem CID 162768734) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl 2-[5-(2-methylpyrimidin-5-yl)-1H-indazol-7-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(2-methylpyrimidin-5-yl)-1H-indazol-7-yl]acetate
PubChem CID162768734
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Namemethyl 2-[5-(2-methylpyrimidin-5-yl)-1H-indazol-7-yl]acetate
SMILESCOC(=O)Cc1cc(-c2cnc(C)nc2)cc2cn[nH]c12
InChIInChI=1S/C15H14N4O2/c1-9-16-6-13(7-17-9)10-3-11(5-14(20)21-2)15-12(4-10)8-18-19-15/h3-4,6-8H,5H2,1-2H3,(H,18,19)
InChIKeyDQJGUVRYTCXZRV-UHFFFAOYSA-N
XLogP2.04
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-2H-indazol-3-yl]acetate
CID 87926318
7-fluoro-5-(2-methylpyrimidin-5-yl)-1H-indazole
CID 135319107
methyl 3-[5-(2-fluoro-5-methylphenyl)pyrimidin-2-yl]-1H-indazole-5-carboxylate
CID 137367857
1-[7-(1-fluoroethyl)-5-(2-methylpyrimidin-5-yl)-2H-indazol-3-yl]ethanone
CID 153407184
tert-butyl 3-[1-[5-fluoro-2-(1H-indazol-6-ylamino)pyrimidin-4-yl]piperidin-2-yl]propanoate
CID 162213389
7-(fluoromethyl)-5-(2-methylpyrimidin-5-yl)-2H-indazole-3-carbaldehyde
CID 175779490
Ethyl 2-[3-(1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)phenyl]acetate
CID 134960958
Methyl 3,3,3-trifluoro-2-(5-methyl-1-pyrimidin-2-ylindol-7-yl)propanoate
CID 132495642
(2S)-2-[[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]methyl]-3-methylbutanoic acid
CID 157726644
7-[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]heptanoic acid
CID 158480345
2-[[5-fluoro-2-(5-fluoro-1H-indazol-3-yl)pyrimidin-4-yl]methyl]butanoic acid
CID 158723058
methyl 2-methyl-3-(2H-pyrazolo[3,4-b]pyridin-3-yl)propanoate
CID 58057577

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(2-methylpyrimidin-5-yl)-1H-indazol-7-yl]acetate?
The IUPAC name of methyl 2-[5-(2-methylpyrimidin-5-yl)-1H-indazol-7-yl]acetate (CID 162768734) is methyl 2-[5-(2-methylpyrimidin-5-yl)-1H-indazol-7-yl]acetate.
What is the SMILES notation for methyl 2-[5-(2-methylpyrimidin-5-yl)-1H-indazol-7-yl]acetate?
The canonical SMILES for methyl 2-[5-(2-methylpyrimidin-5-yl)-1H-indazol-7-yl]acetate is COC(=O)Cc1cc(-c2cnc(C)nc2)cc2cn[nH]c12.
What is the InChIKey of methyl 2-[5-(2-methylpyrimidin-5-yl)-1H-indazol-7-yl]acetate?
The InChIKey is DQJGUVRYTCXZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-9-16-6-13(7-17-9)10-3-11(5-14(20)21-2)15-12(4-10)8-18-19-15/h3-4,6-8H,5H2,1-2H3,(H,18,19).
What are the key properties of methyl 2-[5-(2-methylpyrimidin-5-yl)-1H-indazol-7-yl]acetate?
methyl 2-[5-(2-methylpyrimidin-5-yl)-1H-indazol-7-yl]acetate has a molecular weight of 282.30 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(2-methylpyrimidin-5-yl)-1H-indazol-7-yl]acetate is sourced from PubChem (CID 162768734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).