5-[5-[(4R)-2-ethyl-1,6-dimethylpiperidin-4-yl]oxy-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine

C21H26N4O — CID 53312353

IUPAC5-[5-[(4R)-2-ethyl-1,6-dimethylpiperidin-4-yl]oxy-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCCC1C[C@H](Oc2ccc(-c3cnc4[nH]ccc4c3)nc2)CC(C)N1C
InChIInChI=1S/C21H26N4O/c1-4-17-11-19(9-14(2)25(17)3)26-18-5-6-20(23-13-18)16-10-15-7-8-22-21(15)24-12-16/h5-8,10,12-14,17,19H,4,9,11H2,1-3H3,(H,22,24)/t14?,17?,19-/m1/s1
InChIKeyPKDUEJIIPOYQOV-ITXXBFQVSA-N
MW350.47 g/mol
LogP4.26
Rot. Bonds4

About 5-[5-[(4R)-2-ethyl-1,6-dimethylpiperidin-4-yl]oxy-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine

5-[5-[(4R)-2-ethyl-1,6-dimethylpiperidin-4-yl]oxy-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 53312353) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is 5-[5-[(4R)-2-ethyl-1,6-dimethylpiperidin-4-yl]oxy-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-[5-[(4R)-2-ethyl-1,6-dimethylpiperidin-4-yl]oxy-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID53312353
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC Name5-[5-[(4R)-2-ethyl-1,6-dimethylpiperidin-4-yl]oxy-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCCC1C[C@H](Oc2ccc(-c3cnc4[nH]ccc4c3)nc2)CC(C)N1C
InChIInChI=1S/C21H26N4O/c1-4-17-11-19(9-14(2)25(17)3)26-18-5-6-20(23-13-18)16-10-15-7-8-22-21(15)24-12-16/h5-8,10,12-14,17,19H,4,9,11H2,1-3H3,(H,22,24)/t14?,17?,19-/m1/s1
InChIKeyPKDUEJIIPOYQOV-ITXXBFQVSA-N
XLogP4.26
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4R)-2-ethyl-1,6-dimethylpiperidin-4-yl]oxy-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-[5-[(4R)-2-ethyl-1,6-dimethylpiperidin-4-yl]oxy-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine (CID 53312353) is 5-[5-[(4R)-2-ethyl-1,6-dimethylpiperidin-4-yl]oxy-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-[5-[(4R)-2-ethyl-1,6-dimethylpiperidin-4-yl]oxy-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-[5-[(4R)-2-ethyl-1,6-dimethylpiperidin-4-yl]oxy-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine is CCC1C[C@H](Oc2ccc(-c3cnc4[nH]ccc4c3)nc2)CC(C)N1C.
What is the InChIKey of 5-[5-[(4R)-2-ethyl-1,6-dimethylpiperidin-4-yl]oxy-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is PKDUEJIIPOYQOV-ITXXBFQVSA-N. The full InChI is InChI=1S/C21H26N4O/c1-4-17-11-19(9-14(2)25(17)3)26-18-5-6-20(23-13-18)16-10-15-7-8-22-21(15)24-12-16/h5-8,10,12-14,17,19H,4,9,11H2,1-3H3,(H,22,24)/t14?,17?,19-/m1/s1.
What are the key properties of 5-[5-[(4R)-2-ethyl-1,6-dimethylpiperidin-4-yl]oxy-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine?
5-[5-[(4R)-2-ethyl-1,6-dimethylpiperidin-4-yl]oxy-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 350.47 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4R)-2-ethyl-1,6-dimethylpiperidin-4-yl]oxy-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 53312353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).