1-[(2S)-1-methoxypropan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-6-methylsulfonylpyrrolo[3,2-b]pyridine

C22H29N3O4S — CID 24788932

IUPAC1-[(2S)-1-methoxypropan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-6-methylsulfonylpyrrolo[3,2-b]pyridine
SMILESCOC[C@H](C)n1cc(C)c2nc(-c3ccc(C(C)C)nc3OC)c(S(C)(=O)=O)cc21
InChIInChI=1S/C22H29N3O4S/c1-13(2)17-9-8-16(22(23-17)29-6)21-19(30(7,26)27)10-18-20(24-21)14(3)11-25(18)15(4)12-28-5/h8-11,13,15H,12H2,1-7H3/t15-/m0/s1
InChIKeyGNJNDCRZLDWTHG-HNNXBMFYSA-N
MW431.56 g/mol
LogP4.15
Rot. Bonds7

About 1-[(2S)-1-methoxypropan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-6-methylsulfonylpyrrolo[3,2-b]pyridine

1-[(2S)-1-methoxypropan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-6-methylsulfonylpyrrolo[3,2-b]pyridine (PubChem CID 24788932) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is 1-[(2S)-1-methoxypropan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-6-methylsulfonylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-[(2S)-1-methoxypropan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-6-methylsulfonylpyrrolo[3,2-b]pyridine
PubChem CID24788932
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC Name1-[(2S)-1-methoxypropan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-6-methylsulfonylpyrrolo[3,2-b]pyridine
SMILESCOC[C@H](C)n1cc(C)c2nc(-c3ccc(C(C)C)nc3OC)c(S(C)(=O)=O)cc21
InChIInChI=1S/C22H29N3O4S/c1-13(2)17-9-8-16(22(23-17)29-6)21-19(30(7,26)27)10-18-20(24-21)14(3)11-25(18)15(4)12-28-5/h8-11,13,15H,12H2,1-7H3/t15-/m0/s1
InChIKeyGNJNDCRZLDWTHG-HNNXBMFYSA-N
XLogP4.15
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-methoxypropan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-6-methylsulfonylpyrrolo[3,2-b]pyridine?
The IUPAC name of 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) is 1-[(2S)-1-methoxypropan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-6-methylsulfonylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-[(2S)-1-methoxypropan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-6-methylsulfonylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-[(2S)-1-methoxypropan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-6-methylsulfonylpyrrolo[3,2-b]pyridine is COC[C@H](C)n1cc(C)c2nc(-c3ccc(C(C)C)nc3OC)c(S(C)(=O)=O)cc21.
What is the InChIKey of 1-[(2S)-1-methoxypropan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-6-methylsulfonylpyrrolo[3,2-b]pyridine?
The InChIKey is GNJNDCRZLDWTHG-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-13(2)17-9-8-16(22(23-17)29-6)21-19(30(7,26)27)10-18-20(24-21)14(3)11-25(18)15(4)12-28-5/h8-11,13,15H,12H2,1-7H3/t15-/m0/s1.
What are the key properties of 1-[(2S)-1-methoxypropan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-6-methylsulfonylpyrrolo[3,2-b]pyridine?
1-[(2S)-1-methoxypropan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-6-methylsulfonylpyrrolo[3,2-b]pyridine has a molecular weight of 431.56 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-methoxypropan-2-yl]-5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3-methyl-6-methylsulfonylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 24788932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).