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

C20H25N5S — CID 165156593

IUPAC3-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-methyl-1,2-thiazole
SMILESCc1csnc1-c1c[nH]c2nccc(N3CCCC4(CCCCN4)C3)c12
InChIInChI=1S/C20H25N5S/c1-14-12-26-24-18(14)15-11-22-19-17(15)16(5-9-21-19)25-10-4-7-20(13-25)6-2-3-8-23-20/h5,9,11-12,23H,2-4,6-8,10,13H2,1H3,(H,21,22)
InChIKeyTUUOAEBALGLMIE-UHFFFAOYSA-N
MW367.52 g/mol
LogP4.11
Rot. Bonds2

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

3-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-methyl-1,2-thiazole (PubChem CID 165156593) has the molecular formula C20H25N5S and a molecular weight of 367.52 g/mol. Its IUPAC name is 3-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-methyl-1,2-thiazole.

Molecular Properties

Compound Name3-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-methyl-1,2-thiazole
PubChem CID165156593
Molecular FormulaC20H25N5S
Molecular Weight367.52 g/mol
Exact Mass367.18
IUPAC Name3-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-methyl-1,2-thiazole
SMILESCc1csnc1-c1c[nH]c2nccc(N3CCCC4(CCCCN4)C3)c12
InChIInChI=1S/C20H25N5S/c1-14-12-26-24-18(14)15-11-22-19-17(15)16(5-9-21-19)25-10-4-7-20(13-25)6-2-3-8-23-20/h5,9,11-12,23H,2-4,6-8,10,13H2,1H3,(H,21,22)
InChIKeyTUUOAEBALGLMIE-UHFFFAOYSA-N
XLogP4.11
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(6R)-1,8-diazaspiro[5.5]undecan-8-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole
CID 165156635
8-[3-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1,8-diazaspiro[5.5]undecane
CID 165156396
4-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,5-dimethyl-2,3-dihydro-1,2-oxazole
CID 167191436
4-(1,8-diazaspiro[3.5]nonan-8-yl)-3-(5-methyl-1H-imidazol-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 165156747
2-[4-(1,7-diazaspiro[3.4]octan-7-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole
CID 165156706
11-(4-methyl-3-pyridinyl)-7,11-diazaspiro[5.6]dodecane
CID 64951580
10-(5-bromo-2-methylphenyl)-6,10-diazaspiro[4.6]undecane
CID 64942821
2-[[4-[(6S)-1,8-diazaspiro[5.5]undecan-8-yl]-3-pyrimidin-5-ylpyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 142530221
10-(4-bromo-2-methylphenyl)-6,10-diazaspiro[4.6]undecane
CID 64943378
11-(5-fluoro-2-methylphenyl)-7,11-diazaspiro[5.6]dodecane
CID 64944299
4-(3,3-difluoropyrrolidin-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 118190112
10-(2-methylsulfanylphenyl)-6,10-diazaspiro[4.6]undecane
CID 107646279

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]-4-methyl-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]-4-methyl-1,2-thiazole (CID 165156593) is 3-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-methyl-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]-4-methyl-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]-4-methyl-1,2-thiazole is Cc1csnc1-c1c[nH]c2nccc(N3CCCC4(CCCCN4)C3)c12.
What is the InChIKey of 3-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-methyl-1,2-thiazole?
The InChIKey is TUUOAEBALGLMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5S/c1-14-12-26-24-18(14)15-11-22-19-17(15)16(5-9-21-19)25-10-4-7-20(13-25)6-2-3-8-23-20/h5,9,11-12,23H,2-4,6-8,10,13H2,1H3,(H,21,22).
What are the key properties of 3-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-methyl-1,2-thiazole?
3-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4-methyl-1,2-thiazole has a molecular weight of 367.52 g/mol, XLogP of 4.11, 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]-4-methyl-1,2-thiazole is sourced from PubChem (CID 165156593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).