(2R,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine

C13H17N3O — CID 135332401

IUPAC(2R,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine
SMILESC[C@@H]1CN(c2cnc3[nH]ccc3c2)C[C@@H](C)O1
InChIInChI=1S/C13H17N3O/c1-9-7-16(8-10(2)17-9)12-5-11-3-4-14-13(11)15-6-12/h3-6,9-10H,7-8H2,1-2H3,(H,14,15)/t9-,10-/m1/s1
InChIKeyVAZHXQUIOKGLES-NXEZZACHSA-N
MW231.30 g/mol
LogP2.18
Rot. Bonds1

About (2R,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine

(2R,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine (PubChem CID 135332401) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is (2R,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine.

Molecular Properties

Compound Name(2R,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine
PubChem CID135332401
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name(2R,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine
SMILESC[C@@H]1CN(c2cnc3[nH]ccc3c2)C[C@@H](C)O1
InChIInChI=1S/C13H17N3O/c1-9-7-16(8-10(2)17-9)12-5-11-3-4-14-13(11)15-6-12/h3-6,9-10H,7-8H2,1-2H3,(H,14,15)/t9-,10-/m1/s1
InChIKeyVAZHXQUIOKGLES-NXEZZACHSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)piperidin-3-amine
CID 151731068
2,6-dimethyl-4-quinolin-3-ylmorpholine
CID 135233182
(2S,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-6-yl)morpholine
CID 56888603
2,6-dimethyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholine
CID 18008420
5-(2,6-dimethylmorpholin-4-yl)-N-methylpyridin-3-amine
CID 104532451
4-(6-ethyl-3-pyridinyl)-2,6-dimethylmorpholine
CID 121264933
5-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-1H-pyrrolo[2,3-b]pyridine
CID 158881003
5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolidine-3-sulfonyl fluoride
CID 168716150
6-(3-methylpyrrolidin-1-yl)-1H-1,8-naphthyridin-2-one
CID 168978283
5-[(1-methylpiperidin-4-yl)methoxy]-1H-pyrrolo[2,3-b]pyridine
CID 59774841
2-methyl-4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine
CID 129162842
5-[(3R)-oxolan-3-yl]oxy-1H-pyrrolo[2,3-b]pyridine
CID 59774837

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine?
The IUPAC name of (2R,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine (CID 135332401) is (2R,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine.
What is the SMILES notation for (2R,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine?
The canonical SMILES for (2R,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine is C[C@@H]1CN(c2cnc3[nH]ccc3c2)C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine?
The InChIKey is VAZHXQUIOKGLES-NXEZZACHSA-N. The full InChI is InChI=1S/C13H17N3O/c1-9-7-16(8-10(2)17-9)12-5-11-3-4-14-13(11)15-6-12/h3-6,9-10H,7-8H2,1-2H3,(H,14,15)/t9-,10-/m1/s1.
What are the key properties of (2R,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine?
(2R,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine has a molecular weight of 231.30 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2,6-dimethyl-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)morpholine is sourced from PubChem (CID 135332401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).