2-[4-(1,9-diazaspiro[4.5]decan-9-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole

C19H23N5S — CID 165156619

IUPAC2-[4-(1,9-diazaspiro[4.5]decan-9-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole
SMILESCc1cnc(-c2c[nH]c3nccc(N4CCCC5(CCCN5)C4)c23)s1
InChIInChI=1S/C19H23N5S/c1-13-10-22-18(25-13)14-11-21-17-16(14)15(4-8-20-17)24-9-3-6-19(12-24)5-2-7-23-19/h4,8,10-11,23H,2-3,5-7,9,12H2,1H3,(H,20,21)
InChIKeyXMXURASGYBCBLM-UHFFFAOYSA-N
MW353.50 g/mol
LogP3.72
Rot. Bonds2

About 2-[4-(1,9-diazaspiro[4.5]decan-9-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole

2-[4-(1,9-diazaspiro[4.5]decan-9-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole (PubChem CID 165156619) has the molecular formula C19H23N5S and a molecular weight of 353.50 g/mol. Its IUPAC name is 2-[4-(1,9-diazaspiro[4.5]decan-9-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[4-(1,9-diazaspiro[4.5]decan-9-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole
PubChem CID165156619
Molecular FormulaC19H23N5S
Molecular Weight353.50 g/mol
Exact Mass353.17
IUPAC Name2-[4-(1,9-diazaspiro[4.5]decan-9-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole
SMILESCc1cnc(-c2c[nH]c3nccc(N4CCCC5(CCCN5)C4)c23)s1
InChIInChI=1S/C19H23N5S/c1-13-10-22-18(25-13)14-11-21-17-16(14)15(4-8-20-17)24-9-3-6-19(12-24)5-2-7-23-19/h4,8,10-11,23H,2-3,5-7,9,12H2,1H3,(H,20,21)
InChIKeyXMXURASGYBCBLM-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,9-diazaspiro[4.5]decan-9-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole?
The IUPAC name of 2-[4-(1,9-diazaspiro[4.5]decan-9-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole (CID 165156619) is 2-[4-(1,9-diazaspiro[4.5]decan-9-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-[4-(1,9-diazaspiro[4.5]decan-9-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole?
The canonical SMILES for 2-[4-(1,9-diazaspiro[4.5]decan-9-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole is Cc1cnc(-c2c[nH]c3nccc(N4CCCC5(CCCN5)C4)c23)s1.
What is the InChIKey of 2-[4-(1,9-diazaspiro[4.5]decan-9-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole?
The InChIKey is XMXURASGYBCBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5S/c1-13-10-22-18(25-13)14-11-21-17-16(14)15(4-8-20-17)24-9-3-6-19(12-24)5-2-7-23-19/h4,8,10-11,23H,2-3,5-7,9,12H2,1H3,(H,20,21).
What are the key properties of 2-[4-(1,9-diazaspiro[4.5]decan-9-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole?
2-[4-(1,9-diazaspiro[4.5]decan-9-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole has a molecular weight of 353.50 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,9-diazaspiro[4.5]decan-9-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole is sourced from PubChem (CID 165156619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).