(2S)-2-[[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridin-1-yl]methyl]butan-1-ol

C22H29N3O2 — CID 143014884

IUPAC(2S)-2-[[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridin-1-yl]methyl]butan-1-ol
SMILESCC[C@H](CO)Cn1ccc2nc(-c3ccc(C(C)C)nc3OC)c(C)cc21
InChIInChI=1S/C22H29N3O2/c1-6-16(13-26)12-25-10-9-19-20(25)11-15(4)21(23-19)17-7-8-18(14(2)3)24-22(17)27-5/h7-11,14,16,26H,6,12-13H2,1-5H3/t16-/m0/s1
InChIKeyGOZUHUMJFSEPFK-INIZCTEOSA-N
MW367.49 g/mol
LogP4.56
Rot. Bonds7

About (2S)-2-[[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridin-1-yl]methyl]butan-1-ol

(2S)-2-[[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridin-1-yl]methyl]butan-1-ol (PubChem CID 143014884) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is (2S)-2-[[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridin-1-yl]methyl]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridin-1-yl]methyl]butan-1-ol
PubChem CID143014884
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name(2S)-2-[[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridin-1-yl]methyl]butan-1-ol
SMILESCC[C@H](CO)Cn1ccc2nc(-c3ccc(C(C)C)nc3OC)c(C)cc21
InChIInChI=1S/C22H29N3O2/c1-6-16(13-26)12-25-10-9-19-20(25)11-15(4)21(23-19)17-7-8-18(14(2)3)24-22(17)27-5/h7-11,14,16,26H,6,12-13H2,1-5H3/t16-/m0/s1
InChIKeyGOZUHUMJFSEPFK-INIZCTEOSA-N
XLogP4.56
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridin-1-yl]methyl]butan-1-ol?
The IUPAC name of (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) is (2S)-2-[[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridin-1-yl]methyl]butan-1-ol.
What is the SMILES notation for (2S)-2-[[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridin-1-yl]methyl]butan-1-ol?
The canonical SMILES for (2S)-2-[[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridin-1-yl]methyl]butan-1-ol is CC[C@H](CO)Cn1ccc2nc(-c3ccc(C(C)C)nc3OC)c(C)cc21.
What is the InChIKey of (2S)-2-[[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridin-1-yl]methyl]butan-1-ol?
The InChIKey is GOZUHUMJFSEPFK-INIZCTEOSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-6-16(13-26)12-25-10-9-19-20(25)11-15(4)21(23-19)17-7-8-18(14(2)3)24-22(17)27-5/h7-11,14,16,26H,6,12-13H2,1-5H3/t16-/m0/s1.
What are the key properties of (2S)-2-[[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridin-1-yl]methyl]butan-1-ol?
(2S)-2-[[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridin-1-yl]methyl]butan-1-ol has a molecular weight of 367.49 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-6-methylpyrrolo[3,2-b]pyridin-1-yl]methyl]butan-1-ol is sourced from PubChem (CID 143014884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).