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

C19H23N5S — CID 165156565

IUPAC3-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole
SMILESc1cc(N2CCCC3(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)
InChIKeyREWHAACFZHKISI-UHFFFAOYSA-N
MW353.50 g/mol
LogP3.80
Rot. Bonds2

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

3-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole (PubChem CID 165156565) has the molecular formula C19H23N5S and a molecular weight of 353.50 g/mol. Its IUPAC name is 3-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole.

Molecular Properties

Compound Name3-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole
PubChem CID165156565
Molecular FormulaC19H23N5S
Molecular Weight353.50 g/mol
Exact Mass353.17
IUPAC Name3-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole
SMILESc1cc(N2CCCC3(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)
InChIKeyREWHAACFZHKISI-UHFFFAOYSA-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-(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

Related Compounds

1-[4-Methyl-1-(Methylsulfonyl)piperidin-4-Yl]-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridine
CID 56973424
1-(1-Benzylpiperidin-4-Yl)-1,6-Dihydroimidazo[4,5-D]pyrrolo[2,3-B]pyridine
CID 56973425
N-(2-methyl-4-(2-(pyrrolidin-1-yl)ethyl)phenyl)-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 16046217
trans-N1-(4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl)cyclohexane-1,4-diamine
CID 44415997
12-(5-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl)-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-4-carbonitrile
CID 44546167
N-methyl-3-[(6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]benzenesulfonamide
CID 70649109
N-(4-(6-(trifluoromethyl)-3H-imidazo[4,5-b]pyridin-2-ylamino)phenethyl)thieno[3,2-d]pyrimidin-4-amine
CID 46883180
N,N-dimethyl-4-[5-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl]benzenesulfonamide
CID 118720612
4-(5-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
CID 137661231
5-(2-amino-4-pyridinyl)-2-methyl-N-(thiophen-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166629551
5-(2-amino-4-pyridinyl)-2-methyl-N-(thiophen-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166629640
cyclohexylmethyl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amine
CID 11645208

Frequently Asked Questions

What is the IUPAC name of 3-[4-(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-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole (CID 165156565) is 3-[4-(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-(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-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole is c1cc(N2CCCC3(CCCCN3)C2)c2c(-c3ccsn3)c[nH]c2n1.
What is the InChIKey of 3-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole?
The InChIKey is REWHAACFZHKISI-UHFFFAOYSA-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).
What are the key properties of 3-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole?
3-[4-(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-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,2-thiazole is sourced from PubChem (CID 165156565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).