4-(2-chloro-5-methoxyphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine

C19H18ClN3O — CID 90419649

IUPAC4-(2-chloro-5-methoxyphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(Cl)c(-c2ccnc3[nH]c(C4=CCNCC4)cc23)c1
InChIInChI=1S/C19H18ClN3O/c1-24-13-2-3-17(20)15(10-13)14-6-9-22-19-16(14)11-18(23-19)12-4-7-21-8-5-12/h2-4,6,9-11,21H,5,7-8H2,1H3,(H,22,23)
InChIKeyKSDIEBJEUJQCLX-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.27
Rot. Bonds3

About 4-(2-chloro-5-methoxyphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine

4-(2-chloro-5-methoxyphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 90419649) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 4-(2-chloro-5-methoxyphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(2-chloro-5-methoxyphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID90419649
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name4-(2-chloro-5-methoxyphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(Cl)c(-c2ccnc3[nH]c(C4=CCNCC4)cc23)c1
InChIInChI=1S/C19H18ClN3O/c1-24-13-2-3-17(20)15(10-13)14-6-9-22-19-16(14)11-18(23-19)12-4-7-21-8-5-12/h2-4,6,9-11,21H,5,7-8H2,1H3,(H,22,23)
InChIKeyKSDIEBJEUJQCLX-UHFFFAOYSA-N
XLogP4.27
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-methoxyphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(2-chloro-5-methoxyphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 90419649) is 4-(2-chloro-5-methoxyphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(2-chloro-5-methoxyphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(2-chloro-5-methoxyphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine is COc1ccc(Cl)c(-c2ccnc3[nH]c(C4=CCNCC4)cc23)c1.
What is the InChIKey of 4-(2-chloro-5-methoxyphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is KSDIEBJEUJQCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-24-13-2-3-17(20)15(10-13)14-6-9-22-19-16(14)11-18(23-19)12-4-7-21-8-5-12/h2-4,6,9-11,21H,5,7-8H2,1H3,(H,22,23).
What are the key properties of 4-(2-chloro-5-methoxyphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
4-(2-chloro-5-methoxyphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 339.83 g/mol, XLogP of 4.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-methoxyphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 90419649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).