1H-indazol-7-ylmethyl 6-methylimidazo[1,2-a]pyridine-3-carboxylate

C17H14N4O2 — CID 91646534

IUPAC1H-indazol-7-ylmethyl 6-methylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCc1ccc2ncc(C(=O)OCc3cccc4cn[nH]c34)n2c1
InChIInChI=1S/C17H14N4O2/c1-11-5-6-15-18-8-14(21(15)9-11)17(22)23-10-13-4-2-3-12-7-19-20-16(12)13/h2-9H,10H2,1H3,(H,19,20)
InChIKeyIRGXXNWATNFDME-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.88
Rot. Bonds3

About 1H-indazol-7-ylmethyl 6-methylimidazo[1,2-a]pyridine-3-carboxylate

1H-indazol-7-ylmethyl 6-methylimidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 91646534) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 1H-indazol-7-ylmethyl 6-methylimidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Name1H-indazol-7-ylmethyl 6-methylimidazo[1,2-a]pyridine-3-carboxylate
PubChem CID91646534
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name1H-indazol-7-ylmethyl 6-methylimidazo[1,2-a]pyridine-3-carboxylate
SMILESCc1ccc2ncc(C(=O)OCc3cccc4cn[nH]c34)n2c1
InChIInChI=1S/C17H14N4O2/c1-11-5-6-15-18-8-14(21(15)9-11)17(22)23-10-13-4-2-3-12-7-19-20-16(12)13/h2-9H,10H2,1H3,(H,19,20)
InChIKeyIRGXXNWATNFDME-UHFFFAOYSA-N
XLogP2.88
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1H-indazol-7-ylmethyl 6-methylimidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of 1H-indazol-7-ylmethyl 6-methylimidazo[1,2-a]pyridine-3-carboxylate (CID 91646534) is 1H-indazol-7-ylmethyl 6-methylimidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for 1H-indazol-7-ylmethyl 6-methylimidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for 1H-indazol-7-ylmethyl 6-methylimidazo[1,2-a]pyridine-3-carboxylate is Cc1ccc2ncc(C(=O)OCc3cccc4cn[nH]c34)n2c1.
What is the InChIKey of 1H-indazol-7-ylmethyl 6-methylimidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is IRGXXNWATNFDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-11-5-6-15-18-8-14(21(15)9-11)17(22)23-10-13-4-2-3-12-7-19-20-16(12)13/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of 1H-indazol-7-ylmethyl 6-methylimidazo[1,2-a]pyridine-3-carboxylate?
1H-indazol-7-ylmethyl 6-methylimidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 306.33 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-7-ylmethyl 6-methylimidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 91646534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).