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

C21H19ClN4 — CID 58442053

IUPAC5-chloro-3-[[2-[2-(2-methylphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1ccccc1CCc1ncc(Cc2c[nH]c3ncc(Cl)cc23)cn1
InChIInChI=1S/C21H19ClN4/c1-14-4-2-3-5-16(14)6-7-20-23-10-15(11-24-20)8-17-12-25-21-19(17)9-18(22)13-26-21/h2-5,9-13H,6-8H2,1H3,(H,25,26)
InChIKeyZXWDTPGTAHEJFS-UHFFFAOYSA-N
MW362.86 g/mol
LogP4.69
Rot. Bonds5

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

5-chloro-3-[[2-[2-(2-methylphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 58442053) has the molecular formula C21H19ClN4 and a molecular weight of 362.86 g/mol. Its IUPAC name is 5-chloro-3-[[2-[2-(2-methylphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-chloro-3-[[2-[2-(2-methylphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID58442053
Molecular FormulaC21H19ClN4
Molecular Weight362.86 g/mol
Exact Mass362.13
IUPAC Name5-chloro-3-[[2-[2-(2-methylphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1ccccc1CCc1ncc(Cc2c[nH]c3ncc(Cl)cc23)cn1
InChIInChI=1S/C21H19ClN4/c1-14-4-2-3-5-16(14)6-7-20-23-10-15(11-24-20)8-17-12-25-21-19(17)9-18(22)13-26-21/h2-5,9-13H,6-8H2,1H3,(H,25,26)
InChIKeyZXWDTPGTAHEJFS-UHFFFAOYSA-N
XLogP4.69
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-3-[[2-[2-(2-methylphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

2-[2-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]-N,N-dimethylaniline
CID 58442077
5-chloro-3-[[2-[2-(3-methylphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58258945
5-chloro-3-[[2-(2-pyridin-3-ylethyl)pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58442139
5-chloro-3-[[2-[2-(4-methoxyphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58442231
3-[[2-[2-(2-methoxy-3-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-5-methyl-1H-pyrrolo[2,3-b]pyridine
CID 58259190
4-[4-[2-[5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyrimidin-2-yl]ethyl]phenyl]morpholine
CID 58442252
3-[[2-[2-(4-methyl-3-pyridinyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58259318
5-chloro-3-[[6-[2-(4-methylphenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58338437
5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-(2-methoxyphenyl)pyrimidin-2-amine
CID 54589335
5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[2-(6-methyl-2-pyridinyl)ethyl]pyrimidin-2-amine
CID 67201463
5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[(2,3-difluorophenyl)methyl]-N-phenylpyrimidin-2-amine
CID 68818851
N-[(2-methylphenyl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine
CID 58442166

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[[2-[2-(2-methylphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-chloro-3-[[2-[2-(2-methylphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine (CID 58442053) is 5-chloro-3-[[2-[2-(2-methylphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-chloro-3-[[2-[2-(2-methylphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-chloro-3-[[2-[2-(2-methylphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine is Cc1ccccc1CCc1ncc(Cc2c[nH]c3ncc(Cl)cc23)cn1.
What is the InChIKey of 5-chloro-3-[[2-[2-(2-methylphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ZXWDTPGTAHEJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4/c1-14-4-2-3-5-16(14)6-7-20-23-10-15(11-24-20)8-17-12-25-21-19(17)9-18(22)13-26-21/h2-5,9-13H,6-8H2,1H3,(H,25,26).
What are the key properties of 5-chloro-3-[[2-[2-(2-methylphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
5-chloro-3-[[2-[2-(2-methylphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 362.86 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[[2-[2-(2-methylphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58442053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).