3-[[2-[2-(2-methoxy-3-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine

C21H21N5O — CID 58259190

IUPAC3-[[2-[2-(2-methoxy-3-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ncccc1CCc1ncc(Cc2c[nH]c3ncc(C)cc23)cn1
InChIInChI=1S/C21H21N5O/c1-14-8-18-17(13-26-20(18)25-10-14)9-15-11-23-19(24-12-15)6-5-16-4-3-7-22-21(16)27-2/h3-4,7-8,10-13H,5-6,9H2,1-2H3,(H,25,26)
InChIKeyBRGHWYKXHSEOIY-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.44
Rot. Bonds6

About 3-[[2-[2-(2-methoxy-3-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine

3-[[2-[2-(2-methoxy-3-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 58259190) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 3-[[2-[2-(2-methoxy-3-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[[2-[2-(2-methoxy-3-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID58259190
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name3-[[2-[2-(2-methoxy-3-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ncccc1CCc1ncc(Cc2c[nH]c3ncc(C)cc23)cn1
InChIInChI=1S/C21H21N5O/c1-14-8-18-17(13-26-20(18)25-10-14)9-15-11-23-19(24-12-15)6-5-16-4-3-7-22-21(16)27-2/h3-4,7-8,10-13H,5-6,9H2,1-2H3,(H,25,26)
InChIKeyBRGHWYKXHSEOIY-UHFFFAOYSA-N
XLogP3.44
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-3-[[2-[2-(2-methylphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58442053
3-[[2-[2-(5-fluoro-2-methoxy-4-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58259367
5-chloro-3-[[2-[2-(3-methylphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58258945
3-[[6-[2-(5-fluoro-2-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine
CID 58258906
5-chloro-3-[[2-(2-pyridin-3-ylethyl)pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58442139
2-[2-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]-N,N-dimethylaniline
CID 58442077
3-[[2-[2-(4-methyl-3-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58259318
5-chloro-3-[[2-[2-(4-methoxyphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58442231
5-methyl-3-[[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58485878
3-[[6-[2-(5-fluoro-6-methoxy-3-pyridinyl)ethyl]-2-methyl-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine
CID 58259383
3-[[2-chloro-6-[2-(5-fluoro-6-methoxy-3-pyridinyl)ethyl]-3-pyridinyl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine
CID 58259430
5-methyl-3-[(5-methyl-3-pyridinyl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 141299037

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-(2-methoxy-3-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[[2-[2-(2-methoxy-3-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine (CID 58259190) is 3-[[2-[2-(2-methoxy-3-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[[2-[2-(2-methoxy-3-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[[2-[2-(2-methoxy-3-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine is COc1ncccc1CCc1ncc(Cc2c[nH]c3ncc(C)cc23)cn1.
What is the InChIKey of 3-[[2-[2-(2-methoxy-3-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is BRGHWYKXHSEOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-14-8-18-17(13-26-20(18)25-10-14)9-15-11-23-19(24-12-15)6-5-16-4-3-7-22-21(16)27-2/h3-4,7-8,10-13H,5-6,9H2,1-2H3,(H,25,26).
What are the key properties of 3-[[2-[2-(2-methoxy-3-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine?
3-[[2-[2-(2-methoxy-3-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 359.43 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-(2-methoxy-3-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58259190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).