(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

C22H29N3O3 — CID 58702864

IUPAC(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
SMILESCOC[C@H](CO)n1cc(C)c2nc(-c3ccc(C(C)C)nc3OC)c(C)cc21
InChIInChI=1S/C22H29N3O3/c1-13(2)18-8-7-17(22(23-18)28-6)20-14(3)9-19-21(24-20)15(4)10-25(19)16(11-26)12-27-5/h7-10,13,16,26H,11-12H2,1-6H3/t16-/m0/s1
InChIKeyDBVNLQXWPKYAFI-INIZCTEOSA-N
MW383.49 g/mol
LogP4.03
Rot. Bonds7

About (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

(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 (PubChem CID 58702864) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID58702864
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name(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
SMILESCOC[C@H](CO)n1cc(C)c2nc(-c3ccc(C(C)C)nc3OC)c(C)cc21
InChIInChI=1S/C22H29N3O3/c1-13(2)18-8-7-17(22(23-18)28-6)20-14(3)9-19-21(24-20)15(4)10-25(19)16(11-26)12-27-5/h7-10,13,16,26H,11-12H2,1-6H3/t16-/m0/s1
InChIKeyDBVNLQXWPKYAFI-INIZCTEOSA-N
XLogP4.03
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COC[C@H](CO)n1cc(C)c2nc(-c3ccc(C(C)C)nc3OC)c(C)cc21.
What is the InChIKey of (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?
The InChIKey is DBVNLQXWPKYAFI-INIZCTEOSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-13(2)18-8-7-17(22(23-18)28-6)20-14(3)9-19-21(24-20)15(4)10-25(19)16(11-26)12-27-5/h7-10,13,16,26H,11-12H2,1-6H3/t16-/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 383.49 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 58702864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).