methyl 5-(2-indazol-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate

C17H17N5O3 — CID 45228699

IUPACmethyl 5-(2-indazol-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate
SMILESCOC(=O)C1Cc2nc[nH]c2CN1C(=O)Cn1ncc2ccccc21
InChIInChI=1S/C17H17N5O3/c1-25-17(24)15-6-12-13(19-10-18-12)8-21(15)16(23)9-22-14-5-3-2-4-11(14)7-20-22/h2-5,7,10,15H,6,8-9H2,1H3,(H,18,19)
InChIKeyFBSNKSOQYIPUTR-UHFFFAOYSA-N
MW339.36 g/mol
LogP0.89
Rot. Bonds3

About methyl 5-(2-indazol-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate

methyl 5-(2-indazol-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate (PubChem CID 45228699) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is methyl 5-(2-indazol-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-indazol-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate
PubChem CID45228699
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Namemethyl 5-(2-indazol-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate
SMILESCOC(=O)C1Cc2nc[nH]c2CN1C(=O)Cn1ncc2ccccc21
InChIInChI=1S/C17H17N5O3/c1-25-17(24)15-6-12-13(19-10-18-12)8-21(15)16(23)9-22-14-5-3-2-4-11(14)7-20-22/h2-5,7,10,15H,6,8-9H2,1H3,(H,18,19)
InChIKeyFBSNKSOQYIPUTR-UHFFFAOYSA-N
XLogP0.89
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-indazol-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate?
The IUPAC name of methyl 5-(2-indazol-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate (CID 45228699) is methyl 5-(2-indazol-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate.
What is the SMILES notation for methyl 5-(2-indazol-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate?
The canonical SMILES for methyl 5-(2-indazol-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate is COC(=O)C1Cc2nc[nH]c2CN1C(=O)Cn1ncc2ccccc21.
What is the InChIKey of methyl 5-(2-indazol-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate?
The InChIKey is FBSNKSOQYIPUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-25-17(24)15-6-12-13(19-10-18-12)8-21(15)16(23)9-22-14-5-3-2-4-11(14)7-20-22/h2-5,7,10,15H,6,8-9H2,1H3,(H,18,19).
What are the key properties of methyl 5-(2-indazol-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate?
methyl 5-(2-indazol-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate has a molecular weight of 339.36 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-indazol-1-ylacetyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 45228699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).