methyl 7-phenyl-3-pyridin-2-ylindolizine-1-carboxylate

C21H16N2O2 — CID 86186029

IUPACmethyl 7-phenyl-3-pyridin-2-ylindolizine-1-carboxylate
SMILESCOC(=O)c1cc(-c2ccccn2)n2ccc(-c3ccccc3)cc12
InChIInChI=1S/C21H16N2O2/c1-25-21(24)17-14-20(18-9-5-6-11-22-18)23-12-10-16(13-19(17)23)15-7-3-2-4-8-15/h2-14H,1H3
InChIKeyKYLHOEKMVNQHHA-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.45
Rot. Bonds3

About methyl 7-phenyl-3-pyridin-2-ylindolizine-1-carboxylate

methyl 7-phenyl-3-pyridin-2-ylindolizine-1-carboxylate (PubChem CID 86186029) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is methyl 7-phenyl-3-pyridin-2-ylindolizine-1-carboxylate.

Molecular Properties

Compound Namemethyl 7-phenyl-3-pyridin-2-ylindolizine-1-carboxylate
PubChem CID86186029
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Namemethyl 7-phenyl-3-pyridin-2-ylindolizine-1-carboxylate
SMILESCOC(=O)c1cc(-c2ccccn2)n2ccc(-c3ccccc3)cc12
InChIInChI=1S/C21H16N2O2/c1-25-21(24)17-14-20(18-9-5-6-11-22-18)23-12-10-16(13-19(17)23)15-7-3-2-4-8-15/h2-14H,1H3
InChIKeyKYLHOEKMVNQHHA-UHFFFAOYSA-N
XLogP4.45
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl 1-methoxy-1H-indole-3-carboxylate
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(1-butylpiperidin-4-yl)methyl 1H-indole-3-carboxylate
CID 10852772
Methyl 3-acetyl-1-indolizinecarboxylate
CID 821569
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Serazapine
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methyl 4'-(phenethylcarbamoyl)-[2,2'-bipyridine]-4-carboxylate (N4)
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Methyl 9-acetylpyrido[3,4-b]indole-3-carboxylate
CID 363114
Ethyl 2-(3-aminophenyl)indolizine-1-carboxylate
CID 1481502
Methyl 1-(3-methylbenzoyl)-1H-indole-3-carboxylate
CID 3146123

Frequently Asked Questions

What is the IUPAC name of methyl 7-phenyl-3-pyridin-2-ylindolizine-1-carboxylate?
The IUPAC name of methyl 7-phenyl-3-pyridin-2-ylindolizine-1-carboxylate (CID 86186029) is methyl 7-phenyl-3-pyridin-2-ylindolizine-1-carboxylate.
What is the SMILES notation for methyl 7-phenyl-3-pyridin-2-ylindolizine-1-carboxylate?
The canonical SMILES for methyl 7-phenyl-3-pyridin-2-ylindolizine-1-carboxylate is COC(=O)c1cc(-c2ccccn2)n2ccc(-c3ccccc3)cc12.
What is the InChIKey of methyl 7-phenyl-3-pyridin-2-ylindolizine-1-carboxylate?
The InChIKey is KYLHOEKMVNQHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c1-25-21(24)17-14-20(18-9-5-6-11-22-18)23-12-10-16(13-19(17)23)15-7-3-2-4-8-15/h2-14H,1H3.
What are the key properties of methyl 7-phenyl-3-pyridin-2-ylindolizine-1-carboxylate?
methyl 7-phenyl-3-pyridin-2-ylindolizine-1-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-phenyl-3-pyridin-2-ylindolizine-1-carboxylate is sourced from PubChem (CID 86186029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).