3-[4-[(6R)-1,8-diazaspiro[5.5]undecan-8-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole

C19H23N5S — CID 165156436

IUPAC3-[4-[(6R)-1,8-diazaspiro[5.5]undecan-8-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole
SMILESc1cc(N2CCC[C@]3(CCCCN3)C2)c2c(-c3ccsn3)c[nH]c2n1
InChIInChI=1S/C19H23N5S/c1-2-8-22-19(6-1)7-3-10-24(13-19)16-4-9-20-18-17(16)14(12-21-18)15-5-11-25-23-15/h4-5,9,11-12,22H,1-3,6-8,10,13H2,(H,20,21)/t19-/m1/s1
InChIKeyREWHAACFZHKISI-LJQANCHMSA-N
MW353.50 g/mol
LogP3.80
Rot. Bonds2

About 3-[4-[(6R)-1,8-diazaspiro[5.5]undecan-8-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole

3-[4-[(6R)-1,8-diazaspiro[5.5]undecan-8-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole (PubChem CID 165156436) has the molecular formula C19H23N5S and a molecular weight of 353.50 g/mol. Its IUPAC name is 3-[4-[(6R)-1,8-diazaspiro[5.5]undecan-8-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole.

Molecular Properties

Compound Name3-[4-[(6R)-1,8-diazaspiro[5.5]undecan-8-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole
PubChem CID165156436
Molecular FormulaC19H23N5S
Molecular Weight353.50 g/mol
Exact Mass353.17
IUPAC Name3-[4-[(6R)-1,8-diazaspiro[5.5]undecan-8-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole
SMILESc1cc(N2CCC[C@]3(CCCCN3)C2)c2c(-c3ccsn3)c[nH]c2n1
InChIInChI=1S/C19H23N5S/c1-2-8-22-19(6-1)7-3-10-24(13-19)16-4-9-20-18-17(16)14(12-21-18)15-5-11-25-23-15/h4-5,9,11-12,22H,1-3,6-8,10,13H2,(H,20,21)/t19-/m1/s1
InChIKeyREWHAACFZHKISI-LJQANCHMSA-N
XLogP3.80
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.50
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[4-[(6R)-1,8-diazaspiro[5.5]undecan-8-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole 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 3-[4-[(6R)-1,8-diazaspiro[5.5]undecan-8-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole?
The IUPAC name of 3-[4-[(6R)-1,8-diazaspiro[5.5]undecan-8-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole (CID 165156436) is 3-[4-[(6R)-1,8-diazaspiro[5.5]undecan-8-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole.
What is the SMILES notation for 3-[4-[(6R)-1,8-diazaspiro[5.5]undecan-8-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole?
The canonical SMILES for 3-[4-[(6R)-1,8-diazaspiro[5.5]undecan-8-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole is c1cc(N2CCC[C@]3(CCCCN3)C2)c2c(-c3ccsn3)c[nH]c2n1.
What is the InChIKey of 3-[4-[(6R)-1,8-diazaspiro[5.5]undecan-8-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole?
The InChIKey is REWHAACFZHKISI-LJQANCHMSA-N. The full InChI is InChI=1S/C19H23N5S/c1-2-8-22-19(6-1)7-3-10-24(13-19)16-4-9-20-18-17(16)14(12-21-18)15-5-11-25-23-15/h4-5,9,11-12,22H,1-3,6-8,10,13H2,(H,20,21)/t19-/m1/s1.
What are the key properties of 3-[4-[(6R)-1,8-diazaspiro[5.5]undecan-8-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole?
3-[4-[(6R)-1,8-diazaspiro[5.5]undecan-8-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole has a molecular weight of 353.50 g/mol, XLogP of 3.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(6R)-1,8-diazaspiro[5.5]undecan-8-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole is sourced from PubChem (CID 165156436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).