2-(3-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,6-diazaspiro[4.5]decane

C20H23N5 — CID 165156563

IUPAC2-(3-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,6-diazaspiro[4.5]decane
SMILESc1ccc(-c2c[nH]c3nccc(N4CCC5(CCCCN5)C4)c23)nc1
InChIInChI=1S/C20H23N5/c1-3-9-21-16(5-1)15-13-23-19-18(15)17(6-11-22-19)25-12-8-20(14-25)7-2-4-10-24-20/h1,3,5-6,9,11,13,24H,2,4,7-8,10,12,14H2,(H,22,23)
InChIKeyWBEAGPGUIJBSMC-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.35
Rot. Bonds2

About 2-(3-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,6-diazaspiro[4.5]decane

2-(3-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,6-diazaspiro[4.5]decane (PubChem CID 165156563) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-(3-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,6-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(3-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,6-diazaspiro[4.5]decane
PubChem CID165156563
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name2-(3-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,6-diazaspiro[4.5]decane
SMILESc1ccc(-c2c[nH]c3nccc(N4CCC5(CCCCN5)C4)c23)nc1
InChIInChI=1S/C20H23N5/c1-3-9-21-16(5-1)15-13-23-19-18(15)17(6-11-22-19)25-12-8-20(14-25)7-2-4-10-24-20/h1,3,5-6,9,11,13,24H,2,4,7-8,10,12,14H2,(H,22,23)
InChIKeyWBEAGPGUIJBSMC-UHFFFAOYSA-N
XLogP3.35
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,6-diazaspiro[4.5]decane?
The IUPAC name of 2-(3-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,6-diazaspiro[4.5]decane (CID 165156563) is 2-(3-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,6-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(3-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,6-diazaspiro[4.5]decane?
The canonical SMILES for 2-(3-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,6-diazaspiro[4.5]decane is c1ccc(-c2c[nH]c3nccc(N4CCC5(CCCCN5)C4)c23)nc1.
What is the InChIKey of 2-(3-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,6-diazaspiro[4.5]decane?
The InChIKey is WBEAGPGUIJBSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5/c1-3-9-21-16(5-1)15-13-23-19-18(15)17(6-11-22-19)25-12-8-20(14-25)7-2-4-10-24-20/h1,3,5-6,9,11,13,24H,2,4,7-8,10,12,14H2,(H,22,23).
What are the key properties of 2-(3-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,6-diazaspiro[4.5]decane?
2-(3-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,6-diazaspiro[4.5]decane has a molecular weight of 333.44 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyridin-2-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,6-diazaspiro[4.5]decane is sourced from PubChem (CID 165156563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).