2-[4-(1,8-diazaspiro[3.5]nonan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole

C18H21N5S — CID 148813575

IUPAC2-[4-(1,8-diazaspiro[3.5]nonan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole
SMILESCc1cnc(-c2c[nH]c3nccc(N4CCCC5(CCN5)C4)c23)s1
InChIInChI=1S/C18H21N5S/c1-12-9-21-17(24-12)13-10-20-16-15(13)14(3-6-19-16)23-8-2-4-18(11-23)5-7-22-18/h3,6,9-10,22H,2,4-5,7-8,11H2,1H3,(H,19,20)
InChIKeyOQJYCJCQEHWYJF-UHFFFAOYSA-N
MW339.47 g/mol
LogP3.33
Rot. Bonds2

About 2-[4-(1,8-diazaspiro[3.5]nonan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole

2-[4-(1,8-diazaspiro[3.5]nonan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole (PubChem CID 148813575) has the molecular formula C18H21N5S and a molecular weight of 339.47 g/mol. Its IUPAC name is 2-[4-(1,8-diazaspiro[3.5]nonan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(1,8-diazaspiro[3.5]nonan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole
PubChem CID148813575
Molecular FormulaC18H21N5S
Molecular Weight339.47 g/mol
Exact Mass339.15
IUPAC Name2-[4-(1,8-diazaspiro[3.5]nonan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole
SMILESCc1cnc(-c2c[nH]c3nccc(N4CCCC5(CCN5)C4)c23)s1
InChIInChI=1S/C18H21N5S/c1-12-9-21-17(24-12)13-10-20-16-15(13)14(3-6-19-16)23-8-2-4-18(11-23)5-7-22-18/h3,6,9-10,22H,2,4-5,7-8,11H2,1H3,(H,19,20)
InChIKeyOQJYCJCQEHWYJF-UHFFFAOYSA-N
XLogP3.33
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.47
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,8-diazaspiro[3.5]nonan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole?
The IUPAC name of 2-[4-(1,8-diazaspiro[3.5]nonan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole (CID 148813575) is 2-[4-(1,8-diazaspiro[3.5]nonan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-[4-(1,8-diazaspiro[3.5]nonan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole?
The canonical SMILES for 2-[4-(1,8-diazaspiro[3.5]nonan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole is Cc1cnc(-c2c[nH]c3nccc(N4CCCC5(CCN5)C4)c23)s1.
What is the InChIKey of 2-[4-(1,8-diazaspiro[3.5]nonan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole?
The InChIKey is OQJYCJCQEHWYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5S/c1-12-9-21-17(24-12)13-10-20-16-15(13)14(3-6-19-16)23-8-2-4-18(11-23)5-7-22-18/h3,6,9-10,22H,2,4-5,7-8,11H2,1H3,(H,19,20).
What are the key properties of 2-[4-(1,8-diazaspiro[3.5]nonan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole?
2-[4-(1,8-diazaspiro[3.5]nonan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole has a molecular weight of 339.47 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,8-diazaspiro[3.5]nonan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole is sourced from PubChem (CID 148813575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).