3-(2-chloro-5-methoxypyrimidin-4-yl)-1-propan-2-ylpyrrolo[3,2-b]pyridine

C15H15ClN4O — CID 175198520

IUPAC3-(2-chloro-5-methoxypyrimidin-4-yl)-1-propan-2-ylpyrrolo[3,2-b]pyridine
SMILESCOc1cnc(Cl)nc1-c1cn(C(C)C)c2cccnc12
InChIInChI=1S/C15H15ClN4O/c1-9(2)20-8-10(13-11(20)5-4-6-17-13)14-12(21-3)7-18-15(16)19-14/h4-9H,1-3H3
InChIKeyMLJNUKRGODOVBY-UHFFFAOYSA-N
MW302.77 g/mol
LogP3.74
Rot. Bonds3

About 3-(2-chloro-5-methoxypyrimidin-4-yl)-1-propan-2-ylpyrrolo[3,2-b]pyridine

3-(2-chloro-5-methoxypyrimidin-4-yl)-1-propan-2-ylpyrrolo[3,2-b]pyridine (PubChem CID 175198520) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is 3-(2-chloro-5-methoxypyrimidin-4-yl)-1-propan-2-ylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name3-(2-chloro-5-methoxypyrimidin-4-yl)-1-propan-2-ylpyrrolo[3,2-b]pyridine
PubChem CID175198520
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name3-(2-chloro-5-methoxypyrimidin-4-yl)-1-propan-2-ylpyrrolo[3,2-b]pyridine
SMILESCOc1cnc(Cl)nc1-c1cn(C(C)C)c2cccnc12
InChIInChI=1S/C15H15ClN4O/c1-9(2)20-8-10(13-11(20)5-4-6-17-13)14-12(21-3)7-18-15(16)19-14/h4-9H,1-3H3
InChIKeyMLJNUKRGODOVBY-UHFFFAOYSA-N
XLogP3.74
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-methoxypyrimidin-4-yl)-1-propan-2-ylpyrrolo[3,2-b]pyridine?
The IUPAC name of 3-(2-chloro-5-methoxypyrimidin-4-yl)-1-propan-2-ylpyrrolo[3,2-b]pyridine (CID 175198520) is 3-(2-chloro-5-methoxypyrimidin-4-yl)-1-propan-2-ylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 3-(2-chloro-5-methoxypyrimidin-4-yl)-1-propan-2-ylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 3-(2-chloro-5-methoxypyrimidin-4-yl)-1-propan-2-ylpyrrolo[3,2-b]pyridine is COc1cnc(Cl)nc1-c1cn(C(C)C)c2cccnc12.
What is the InChIKey of 3-(2-chloro-5-methoxypyrimidin-4-yl)-1-propan-2-ylpyrrolo[3,2-b]pyridine?
The InChIKey is MLJNUKRGODOVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-9(2)20-8-10(13-11(20)5-4-6-17-13)14-12(21-3)7-18-15(16)19-14/h4-9H,1-3H3.
What are the key properties of 3-(2-chloro-5-methoxypyrimidin-4-yl)-1-propan-2-ylpyrrolo[3,2-b]pyridine?
3-(2-chloro-5-methoxypyrimidin-4-yl)-1-propan-2-ylpyrrolo[3,2-b]pyridine has a molecular weight of 302.77 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-methoxypyrimidin-4-yl)-1-propan-2-ylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 175198520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).