propan-2-yl 2-[2-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]acetate

C19H20N2O3 — CID 46962960

IUPACpropan-2-yl 2-[2-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]acetate
SMILESCOc1ccc(-c2cc3cccnc3n2CC(=O)OC(C)C)cc1
InChIInChI=1S/C19H20N2O3/c1-13(2)24-18(22)12-21-17(11-15-5-4-10-20-19(15)21)14-6-8-16(23-3)9-7-14/h4-11,13H,12H2,1-3H3
InChIKeyNLSZRRLNDHZUHF-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.66
Rot. Bonds5

About propan-2-yl 2-[2-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]acetate

propan-2-yl 2-[2-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]acetate (PubChem CID 46962960) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is propan-2-yl 2-[2-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[2-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]acetate
PubChem CID46962960
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Namepropan-2-yl 2-[2-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]acetate
SMILESCOc1ccc(-c2cc3cccnc3n2CC(=O)OC(C)C)cc1
InChIInChI=1S/C19H20N2O3/c1-13(2)24-18(22)12-21-17(11-15-5-4-10-20-19(15)21)14-6-8-16(23-3)9-7-14/h4-11,13H,12H2,1-3H3
InChIKeyNLSZRRLNDHZUHF-UHFFFAOYSA-N
XLogP3.66
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[2-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]acetate?
The IUPAC name of propan-2-yl 2-[2-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]acetate (CID 46962960) is propan-2-yl 2-[2-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[2-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]acetate?
The canonical SMILES for propan-2-yl 2-[2-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]acetate is COc1ccc(-c2cc3cccnc3n2CC(=O)OC(C)C)cc1.
What is the InChIKey of propan-2-yl 2-[2-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]acetate?
The InChIKey is NLSZRRLNDHZUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13(2)24-18(22)12-21-17(11-15-5-4-10-20-19(15)21)14-6-8-16(23-3)9-7-14/h4-11,13H,12H2,1-3H3.
What are the key properties of propan-2-yl 2-[2-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]acetate?
propan-2-yl 2-[2-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]acetate has a molecular weight of 324.38 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[2-(4-methoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]acetate is sourced from PubChem (CID 46962960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).