5-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-amine

C21H26N6 — CID 165156420

IUPAC5-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-amine
SMILESNc1cncc(-c2c[nH]c3nccc(N4CCCC5(CCCCN5)C4)c23)c1
InChIInChI=1S/C21H26N6/c22-16-10-15(11-23-12-16)17-13-25-20-19(17)18(4-8-24-20)27-9-3-6-21(14-27)5-1-2-7-26-21/h4,8,10-13,26H,1-3,5-7,9,14,22H2,(H,24,25)
InChIKeyMWLZXNZGOYNQQD-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.32
Rot. Bonds2

About 5-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-amine

5-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-amine (PubChem CID 165156420) has the molecular formula C21H26N6 and a molecular weight of 362.48 g/mol. Its IUPAC name is 5-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-amine
PubChem CID165156420
Molecular FormulaC21H26N6
Molecular Weight362.48 g/mol
Exact Mass362.22
IUPAC Name5-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-amine
SMILESNc1cncc(-c2c[nH]c3nccc(N4CCCC5(CCCCN5)C4)c23)c1
InChIInChI=1S/C21H26N6/c22-16-10-15(11-23-12-16)17-13-25-20-19(17)18(4-8-24-20)27-9-3-6-21(14-27)5-1-2-7-26-21/h4,8,10-13,26H,1-3,5-7,9,14,22H2,(H,24,25)
InChIKeyMWLZXNZGOYNQQD-UHFFFAOYSA-N
XLogP3.32
TPSA82.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-amine?
The IUPAC name of 5-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-amine (CID 165156420) is 5-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-amine.
What is the SMILES notation for 5-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-amine?
The canonical SMILES for 5-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-amine is Nc1cncc(-c2c[nH]c3nccc(N4CCCC5(CCCCN5)C4)c23)c1.
What is the InChIKey of 5-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-amine?
The InChIKey is MWLZXNZGOYNQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6/c22-16-10-15(11-23-12-16)17-13-25-20-19(17)18(4-8-24-20)27-9-3-6-21(14-27)5-1-2-7-26-21/h4,8,10-13,26H,1-3,5-7,9,14,22H2,(H,24,25).
What are the key properties of 5-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-amine?
5-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-amine has a molecular weight of 362.48 g/mol, XLogP of 3.32, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridin-3-amine is sourced from PubChem (CID 165156420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).