2-methyl-4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine

C13H17N3O — CID 129162842

IUPAC2-methyl-4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine
SMILESCc1c[nH]c2ncc(N3CCOC(C)C3)cc12
InChIInChI=1S/C13H17N3O/c1-9-6-14-13-12(9)5-11(7-15-13)16-3-4-17-10(2)8-16/h5-7,10H,3-4,8H2,1-2H3,(H,14,15)
InChIKeyUWYGIOYYHIKGCQ-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.10
Rot. Bonds1

About 2-methyl-4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine

2-methyl-4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine (PubChem CID 129162842) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-methyl-4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine.

Molecular Properties

Compound Name2-methyl-4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine
PubChem CID129162842
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-methyl-4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine
SMILESCc1c[nH]c2ncc(N3CCOC(C)C3)cc12
InChIInChI=1S/C13H17N3O/c1-9-6-14-13-12(9)5-11(7-15-13)16-3-4-17-10(2)8-16/h5-7,10H,3-4,8H2,1-2H3,(H,14,15)
InChIKeyUWYGIOYYHIKGCQ-UHFFFAOYSA-N
XLogP2.10
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[5-[(2S)-2-methylmorpholin-4-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-N-(1-phenylethyl)pyrimidine-2-carboxamide
CID 146570468
[5-(2-methylmorpholin-4-yl)-2-pyridinyl]methanamine
CID 115486800
[(2R)-2-methylmorpholin-4-yl]-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 164912880
4-(3-chlorophenyl)-2-methylmorpholine
CID 170319463
4-[5-(chloromethyl)-3-methyl-2-pyridinyl]-2-methylmorpholine
CID 80628844
(2R,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine
CID 135332401
2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)isoindole-1,3-dione
CID 59186591
5-amino-2-[(2S)-2-methylmorpholin-4-yl]-1H-pyridin-4-one
CID 178121732
4-(6-chloropyrimidin-4-yl)-2-methylmorpholine
CID 61277750
[3-(2-methylmorpholin-4-yl)quinolin-6-yl] trifluoromethanesulfonate
CID 89443552
2,6-difluoro-4-[(2S)-2-methylmorpholin-4-yl]benzoic acid
CID 146567123
5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane
CID 145223715

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine?
The IUPAC name of 2-methyl-4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine (CID 129162842) is 2-methyl-4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine.
What is the SMILES notation for 2-methyl-4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine?
The canonical SMILES for 2-methyl-4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine is Cc1c[nH]c2ncc(N3CCOC(C)C3)cc12.
What is the InChIKey of 2-methyl-4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine?
The InChIKey is UWYGIOYYHIKGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-6-14-13-12(9)5-11(7-15-13)16-3-4-17-10(2)8-16/h5-7,10H,3-4,8H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine?
2-methyl-4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine has a molecular weight of 231.30 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine is sourced from PubChem (CID 129162842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).