3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine

C17H15ClN4O2 — CID 11638731

IUPAC3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine
SMILESCOc1cc2c(nc1OC)c(-c1cc3c(Cl)ccnc3[nH]1)cn2C
InChIInChI=1S/C17H15ClN4O2/c1-22-8-10(12-6-9-11(18)4-5-19-16(9)20-12)15-13(22)7-14(23-2)17(21-15)24-3/h4-8H,1-3H3,(H,19,20)
InChIKeyISLVGFDZMORPFI-UHFFFAOYSA-N
MW342.79 g/mol
LogP3.79
Rot. Bonds3

About 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine

3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine (PubChem CID 11638731) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine
PubChem CID11638731
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC Name3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine
SMILESCOc1cc2c(nc1OC)c(-c1cc3c(Cl)ccnc3[nH]1)cn2C
InChIInChI=1S/C17H15ClN4O2/c1-22-8-10(12-6-9-11(18)4-5-19-16(9)20-12)15-13(22)7-14(23-2)17(21-15)24-3/h4-8H,1-3H3,(H,19,20)
InChIKeyISLVGFDZMORPFI-UHFFFAOYSA-N
XLogP3.79
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine?
The IUPAC name of 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine (CID 11638731) is 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine is COc1cc2c(nc1OC)c(-c1cc3c(Cl)ccnc3[nH]1)cn2C.
What is the InChIKey of 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine?
The InChIKey is ISLVGFDZMORPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-22-8-10(12-6-9-11(18)4-5-19-16(9)20-12)15-13(22)7-14(23-2)17(21-15)24-3/h4-8H,1-3H3,(H,19,20).
What are the key properties of 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine?
3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine has a molecular weight of 342.79 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 11638731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).