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

C24H33N3O2 — CID 143580476

IUPAC6-cyclopropyl-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine;1-methoxypropane
SMILESCCCOC.COc1nc(C(C)C)ccc1-c1nc2c(C)c[nH]c2cc1C1CC1
InChIInChI=1S/C20H23N3O.C4H10O/c1-11(2)16-8-7-14(20(22-16)24-4)19-15(13-5-6-13)9-17-18(23-19)12(3)10-21-17;1-3-4-5-2/h7-11,13,21H,5-6H2,1-4H3;3-4H2,1-2H3
InChIKeySXYTUAKROKIZOI-UHFFFAOYSA-N
MW395.55 g/mol
LogP5.99
Rot. Bonds6

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

6-cyclopropyl-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine;1-methoxypropane (PubChem CID 143580476) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 6-cyclopropyl-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine;1-methoxypropane.

Molecular Properties

Compound Name6-cyclopropyl-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine;1-methoxypropane
PubChem CID143580476
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name6-cyclopropyl-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine;1-methoxypropane
SMILESCCCOC.COc1nc(C(C)C)ccc1-c1nc2c(C)c[nH]c2cc1C1CC1
InChIInChI=1S/C20H23N3O.C4H10O/c1-11(2)16-8-7-14(20(22-16)24-4)19-15(13-5-6-13)9-17-18(23-19)12(3)10-21-17;1-3-4-5-2/h7-11,13,21H,5-6H2,1-4H3;3-4H2,1-2H3
InChIKeySXYTUAKROKIZOI-UHFFFAOYSA-N
XLogP5.99
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;methoxyethane;6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine
CID 143014938
6-methoxy-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine
CID 143014939
6-chloro-3-methyl-5-(2-methyl-6-propan-2-yl-3-pyridinyl)-1H-pyrrolo[3,2-b]pyridine;fluoroethane;methoxyethane
CID 143015242
7-(4-methoxy-3-methylbutyl)-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethyl-1H-pyrrolo[3,2-b]pyridine
CID 143015034
1-butan-2-yl-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridine
CID 58702847
(2S)-3-methoxy-2-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]propan-1-ol
CID 58702864
1-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]ethanone
CID 58702948
1-[(2R)-1-methoxybutan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridine
CID 58703168
1-[(2S)-1-methoxypropan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-6-methylsulfonylpyrrolo[3,2-b]pyridine
CID 24788932
6-ethyl-1-[(2R)-1-fluoropropan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methylpyrrolo[3,2-b]pyridine
CID 58702743
2-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]butan-1-ol
CID 69453954
4-[2-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]ethyl]morpholine
CID 58703182

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine;1-methoxypropane?
The IUPAC name of 6-cyclopropyl-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine;1-methoxypropane (CID 143580476) is 6-cyclopropyl-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine;1-methoxypropane.
What is the SMILES notation for 6-cyclopropyl-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine;1-methoxypropane?
The canonical SMILES for 6-cyclopropyl-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine;1-methoxypropane is CCCOC.COc1nc(C(C)C)ccc1-c1nc2c(C)c[nH]c2cc1C1CC1.
What is the InChIKey of 6-cyclopropyl-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine;1-methoxypropane?
The InChIKey is SXYTUAKROKIZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O.C4H10O/c1-11(2)16-8-7-14(20(22-16)24-4)19-15(13-5-6-13)9-17-18(23-19)12(3)10-21-17;1-3-4-5-2/h7-11,13,21H,5-6H2,1-4H3;3-4H2,1-2H3.
What are the key properties of 6-cyclopropyl-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine;1-methoxypropane?
6-cyclopropyl-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine;1-methoxypropane has a molecular weight of 395.55 g/mol, XLogP of 5.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-1H-pyrrolo[3,2-b]pyridine;1-methoxypropane is sourced from PubChem (CID 143580476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).