methyl 2-[(5-methylpyrazin-2-yl)methyl]indazole-4-carboxylate

C15H14N4O2 — CID 90133342

IUPACmethyl 2-[(5-methylpyrazin-2-yl)methyl]indazole-4-carboxylate
SMILESCOC(=O)c1cccc2nn(Cc3cnc(C)cn3)cc12
InChIInChI=1S/C15H14N4O2/c1-10-6-17-11(7-16-10)8-19-9-13-12(15(20)21-2)4-3-5-14(13)18-19/h3-7,9H,8H2,1-2H3
InChIKeyWCHMHZGOYBHXQD-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.97
Rot. Bonds3

About methyl 2-[(5-methylpyrazin-2-yl)methyl]indazole-4-carboxylate

methyl 2-[(5-methylpyrazin-2-yl)methyl]indazole-4-carboxylate (PubChem CID 90133342) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl 2-[(5-methylpyrazin-2-yl)methyl]indazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(5-methylpyrazin-2-yl)methyl]indazole-4-carboxylate
PubChem CID90133342
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Namemethyl 2-[(5-methylpyrazin-2-yl)methyl]indazole-4-carboxylate
SMILESCOC(=O)c1cccc2nn(Cc3cnc(C)cn3)cc12
InChIInChI=1S/C15H14N4O2/c1-10-6-17-11(7-16-10)8-19-9-13-12(15(20)21-2)4-3-5-14(13)18-19/h3-7,9H,8H2,1-2H3
InChIKeyWCHMHZGOYBHXQD-UHFFFAOYSA-N
XLogP1.97
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,5-dimethyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid
CID 3164943
2-[(5-Methyl-1H-pyrazol-1-yl)methyl]-4-quinolinecarboxylic acid
CID 6485411
2-(1-ethyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid
CID 6485380
2-(1,3-dimethyl-1H-pyrazol-4-yl)quinoline-4-carboxylic acid
CID 6485381
3''''-(5-Pyridin-2-yl-tetrazol-2-yl)-biphenyl-2-carboxylic acid methyl ester
CID 44395609
Methyl 1-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]indazole-4-carboxylate
CID 118496557
Ethyl 2-(1-methylpyrazol-3-yl)pyridine-4-carboxylate
CID 156770112
2-(1-methyl-1H-pyrazol-3-yl)quinoline-4-carboxylic acid
CID 6485423
Methyl 1-methyl-1H-indazole-6-carboxylate
CID 22598983
Ethyl 3-[(pyrazolo[1,5-a]pyridin-2-ylcarbonyl)amino]benzoate
CID 16024845
Ethyl 4-[1-(pyridin-2-ylmethyl)indazol-3-yl]benzoate
CID 44451921
6-Phenyl-1-(pyridin-4-ylmethyl)indazole-4-carboxylic acid
CID 71601937

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-methylpyrazin-2-yl)methyl]indazole-4-carboxylate?
The IUPAC name of methyl 2-[(5-methylpyrazin-2-yl)methyl]indazole-4-carboxylate (CID 90133342) is methyl 2-[(5-methylpyrazin-2-yl)methyl]indazole-4-carboxylate.
What is the SMILES notation for methyl 2-[(5-methylpyrazin-2-yl)methyl]indazole-4-carboxylate?
The canonical SMILES for methyl 2-[(5-methylpyrazin-2-yl)methyl]indazole-4-carboxylate is COC(=O)c1cccc2nn(Cc3cnc(C)cn3)cc12.
What is the InChIKey of methyl 2-[(5-methylpyrazin-2-yl)methyl]indazole-4-carboxylate?
The InChIKey is WCHMHZGOYBHXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-10-6-17-11(7-16-10)8-19-9-13-12(15(20)21-2)4-3-5-14(13)18-19/h3-7,9H,8H2,1-2H3.
What are the key properties of methyl 2-[(5-methylpyrazin-2-yl)methyl]indazole-4-carboxylate?
methyl 2-[(5-methylpyrazin-2-yl)methyl]indazole-4-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-methylpyrazin-2-yl)methyl]indazole-4-carboxylate is sourced from PubChem (CID 90133342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).