1-[(2R)-1-methoxybutan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridine

C22H29N3O2 — CID 58703168

IUPAC1-[(2R)-1-methoxybutan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridine
SMILESCC[C@H](COC)n1ccc2nc(-c3ccc(C(C)C)nc3OC)c(C)cc21
InChIInChI=1S/C22H29N3O2/c1-7-16(13-26-5)25-11-10-19-20(25)12-15(4)21(23-19)17-8-9-18(14(2)3)24-22(17)27-6/h8-12,14,16H,7,13H2,1-6H3/t16-/m1/s1
InChIKeyBAGGKFDFSIBFFX-MRXNPFEDSA-N
MW367.49 g/mol
LogP5.14
Rot. Bonds7

About 1-[(2R)-1-methoxybutan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridine

1-[(2R)-1-methoxybutan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridine (PubChem CID 58703168) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-[(2R)-1-methoxybutan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-[(2R)-1-methoxybutan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridine
PubChem CID58703168
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name1-[(2R)-1-methoxybutan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridine
SMILESCC[C@H](COC)n1ccc2nc(-c3ccc(C(C)C)nc3OC)c(C)cc21
InChIInChI=1S/C22H29N3O2/c1-7-16(13-26-5)25-11-10-19-20(25)12-15(4)21(23-19)17-8-9-18(14(2)3)24-22(17)27-6/h8-12,14,16H,7,13H2,1-6H3/t16-/m1/s1
InChIKeyBAGGKFDFSIBFFX-MRXNPFEDSA-N
XLogP5.14
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(2R)-1-methoxybutan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridine with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridin-1-yl]methyl]butan-1-ol
CID 143014884
(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
2-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]butan-1-ol
CID 69453954
1-butan-2-yl-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridine
CID 58702847
3-[1-[(2R)-1-methoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N-methyl-6-propan-2-ylpyridin-2-amine
CID 58703019
3-[1-[(2R)-1-methoxybutan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N,6-di(propan-2-yl)pyridin-2-amine
CID 24788716
3-[1-(1-methoxybutan-2-yl)-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N-methyl-6-propan-2-ylpyridin-2-amine
CID 69447678
3-bromo-1-[(2S)-1-methoxypropan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridine;1-[(2S)-1-methoxypropan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridine;1-(1-methoxypropan-2-yl)-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridine-3-carbaldehyde;1-[(2S)-1-methoxypropan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridine-3-carbonitrile;(NZ)-N-[[1-[(2S)-1-methoxypropan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridin-3-yl]methylidene]hydroxylamine
CID 172945901
1-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]ethanone
CID 58702948
5-[(2R)-1-ethoxybutan-2-yl]-2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethylpyrrolo[2,3-b]pyrazine
CID 58703052
5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1,3,6-trimethylpyrrolo[3,2-b]pyridine;(2Z,4Z,6E)-octa-2,4,6-triene
CID 143580333
3-[1-[(2S)-1-fluoro-3-methoxypropan-2-yl]-3,6-dimethylpyrrolo[3,2-b]pyridin-5-yl]-N-methyl-6-propan-2-ylpyridin-2-amine
CID 58702905

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-methoxybutan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridine?
The IUPAC name of 1-[(2R)-1-methoxybutan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridine (CID 58703168) is 1-[(2R)-1-methoxybutan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-[(2R)-1-methoxybutan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-[(2R)-1-methoxybutan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridine is CC[C@H](COC)n1ccc2nc(-c3ccc(C(C)C)nc3OC)c(C)cc21.
What is the InChIKey of 1-[(2R)-1-methoxybutan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridine?
The InChIKey is BAGGKFDFSIBFFX-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-7-16(13-26-5)25-11-10-19-20(25)12-15(4)21(23-19)17-8-9-18(14(2)3)24-22(17)27-6/h8-12,14,16H,7,13H2,1-6H3/t16-/m1/s1.
What are the key properties of 1-[(2R)-1-methoxybutan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridine?
1-[(2R)-1-methoxybutan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridine has a molecular weight of 367.49 g/mol, XLogP of 5.14, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-methoxybutan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 58703168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).