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

C22H29N3O2 — CID 69453954

IUPAC2-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]butan-1-ol
SMILESCCC(CO)n1cc(C)c2nc(-c3ccc(C(C)C)nc3OC)c(C)cc21
InChIInChI=1S/C22H29N3O2/c1-7-16(12-26)25-11-15(5)21-19(25)10-14(4)20(24-21)17-8-9-18(13(2)3)23-22(17)27-6/h8-11,13,16,26H,7,12H2,1-6H3
InChIKeyKCETZOXRFCQSQT-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.79
Rot. Bonds6

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

2-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]butan-1-ol (PubChem CID 69453954) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]butan-1-ol.

Molecular Properties

Compound Name2-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]butan-1-ol
PubChem CID69453954
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name2-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]butan-1-ol
SMILESCCC(CO)n1cc(C)c2nc(-c3ccc(C(C)C)nc3OC)c(C)cc21
InChIInChI=1S/C22H29N3O2/c1-7-16(12-26)25-11-15(5)21-19(25)10-14(4)20(24-21)17-8-9-18(13(2)3)23-22(17)27-6/h8-11,13,16,26H,7,12H2,1-6H3
InChIKeyKCETZOXRFCQSQT-UHFFFAOYSA-N
XLogP4.79
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]butan-1-ol?
The IUPAC name of 2-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]butan-1-ol (CID 69453954) is 2-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]butan-1-ol.
What is the SMILES notation for 2-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]butan-1-ol?
The canonical SMILES for 2-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]butan-1-ol is CCC(CO)n1cc(C)c2nc(-c3ccc(C(C)C)nc3OC)c(C)cc21.
What is the InChIKey of 2-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]butan-1-ol?
The InChIKey is KCETZOXRFCQSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-7-16(12-26)25-11-15(5)21-19(25)10-14(4)20(24-21)17-8-9-18(13(2)3)23-22(17)27-6/h8-11,13,16,26H,7,12H2,1-6H3.
What are the key properties of 2-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]butan-1-ol?
2-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]butan-1-ol has a molecular weight of 367.49 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,6-dimethylpyrrolo[3,2-b]pyridin-1-yl]butan-1-ol is sourced from PubChem (CID 69453954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).