6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine

C18H21N3O2 — CID 143014939

IUPAC6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine
SMILESCOc1cc2[nH]cc(C)c2nc1-c1ccc(C(C)C)nc1OC
InChIInChI=1S/C18H21N3O2/c1-10(2)13-7-6-12(18(20-13)23-5)17-15(22-4)8-14-16(21-17)11(3)9-19-14/h6-10,19H,1-5H3
InChIKeyOTFVWMGPPQLJJI-UHFFFAOYSA-N
MW311.39 g/mol
LogP4.07
Rot. Bonds4

About 6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine

6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine (PubChem CID 143014939) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine
PubChem CID143014939
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine
SMILESCOc1cc2[nH]cc(C)c2nc1-c1ccc(C(C)C)nc1OC
InChIInChI=1S/C18H21N3O2/c1-10(2)13-7-6-12(18(20-13)23-5)17-15(22-4)8-14-16(21-17)11(3)9-19-14/h6-10,19H,1-5H3
InChIKeyOTFVWMGPPQLJJI-UHFFFAOYSA-N
XLogP4.07
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine?
The IUPAC name of 6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine (CID 143014939) is 6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine?
The canonical SMILES for 6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine is COc1cc2[nH]cc(C)c2nc1-c1ccc(C(C)C)nc1OC.
What is the InChIKey of 6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine?
The InChIKey is OTFVWMGPPQLJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-10(2)13-7-6-12(18(20-13)23-5)17-15(22-4)8-14-16(21-17)11(3)9-19-14/h6-10,19H,1-5H3.
What are the key properties of 6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine?
6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine has a molecular weight of 311.39 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 143014939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).