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

C22H21ClN4O — CID 58442086

IUPAC5-chloro-3-[[2-[2-(2-ethoxyphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCCOc1ccccc1CCc1ncc(Cc2c[nH]c3ncc(Cl)cc23)cn1
InChIInChI=1S/C22H21ClN4O/c1-2-28-20-6-4-3-5-16(20)7-8-21-24-11-15(12-25-21)9-17-13-26-22-19(17)10-18(23)14-27-22/h3-6,10-14H,2,7-9H2,1H3,(H,26,27)
InChIKeyILOYYGYPTXFFMX-UHFFFAOYSA-N
MW392.89 g/mol
LogP4.78
Rot. Bonds7

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

5-chloro-3-[[2-[2-(2-ethoxyphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 58442086) has the molecular formula C22H21ClN4O and a molecular weight of 392.89 g/mol. Its IUPAC name is 5-chloro-3-[[2-[2-(2-ethoxyphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-chloro-3-[[2-[2-(2-ethoxyphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID58442086
Molecular FormulaC22H21ClN4O
Molecular Weight392.89 g/mol
Exact Mass392.14
IUPAC Name5-chloro-3-[[2-[2-(2-ethoxyphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCCOc1ccccc1CCc1ncc(Cc2c[nH]c3ncc(Cl)cc23)cn1
InChIInChI=1S/C22H21ClN4O/c1-2-28-20-6-4-3-5-16(20)7-8-21-24-11-15(12-25-21)9-17-13-26-22-19(17)10-18(23)14-27-22/h3-6,10-14H,2,7-9H2,1H3,(H,26,27)
InChIKeyILOYYGYPTXFFMX-UHFFFAOYSA-N
XLogP4.78
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.89
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

6-Chloro-N4-[3,5-difluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-2,4-pyrimidinediamine
CID 11524200
Meriolin 5
CID 23727982
N2-(2-(1H-Pyrrolo[2,3-b]pyridin-3-yl)ethyl)-N4-butyl-N6-(2-methoxyphenethyl)-N4-methyl-1,3,5-triazine-2,4,6-triamine
CID 24767906
Meriolin 6
CID 24801185
Meriolin 4
CID 24801697
Ttbk1-IN-2
CID 162679313
N-[(1R)-1-phenylethyl]-6-(2-propan-2-yloxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 162647772
6-(2-ethoxyphenyl)-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 162667638
6-Chloro-N-methyl-2-[4-[2-(4-morpholinyl)ethoxy]phenyl]-3H-imidazo[4,5-b]pyridin-7-amine
CID 10023121
4-butoxy-2-(4-fluorophenyl)-3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 10833355
4-(3-Methoxybenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
CID 24993164
3-(1-(4-phenoxybenzyl)piperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 44413413

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[[2-[2-(2-ethoxyphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-chloro-3-[[2-[2-(2-ethoxyphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine (CID 58442086) is 5-chloro-3-[[2-[2-(2-ethoxyphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-chloro-3-[[2-[2-(2-ethoxyphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-chloro-3-[[2-[2-(2-ethoxyphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine is CCOc1ccccc1CCc1ncc(Cc2c[nH]c3ncc(Cl)cc23)cn1.
What is the InChIKey of 5-chloro-3-[[2-[2-(2-ethoxyphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is ILOYYGYPTXFFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O/c1-2-28-20-6-4-3-5-16(20)7-8-21-24-11-15(12-25-21)9-17-13-26-22-19(17)10-18(23)14-27-22/h3-6,10-14H,2,7-9H2,1H3,(H,26,27).
What are the key properties of 5-chloro-3-[[2-[2-(2-ethoxyphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
5-chloro-3-[[2-[2-(2-ethoxyphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 392.89 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[[2-[2-(2-ethoxyphenyl)ethyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58442086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).