4-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,5-dimethyl-1,2-oxazole

C21H27N5O — CID 165156478

IUPAC4-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1c[nH]c2nccc(N3CCCC4(CCCCN4)C3)c12
InChIInChI=1S/C21H27N5O/c1-14-18(15(2)27-25-14)16-12-23-20-19(16)17(6-10-22-20)26-11-5-8-21(13-26)7-3-4-9-24-21/h6,10,12,24H,3-5,7-9,11,13H2,1-2H3,(H,22,23)
InChIKeyOIGJZZVHVHPDHZ-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.95
Rot. Bonds2

About 4-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,5-dimethyl-1,2-oxazole

4-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 165156478) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is 4-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID165156478
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name4-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1c[nH]c2nccc(N3CCCC4(CCCCN4)C3)c12
InChIInChI=1S/C21H27N5O/c1-14-18(15(2)27-25-14)16-12-23-20-19(16)17(6-10-22-20)26-11-5-8-21(13-26)7-3-4-9-24-21/h6,10,12,24H,3-5,7-9,11,13H2,1-2H3,(H,22,23)
InChIKeyOIGJZZVHVHPDHZ-UHFFFAOYSA-N
XLogP3.95
TPSA69.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,5-dimethyl-1,2-oxazole (CID 165156478) is 4-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1c[nH]c2nccc(N3CCCC4(CCCCN4)C3)c12.
What is the InChIKey of 4-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is OIGJZZVHVHPDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-14-18(15(2)27-25-14)16-12-23-20-19(16)17(6-10-22-20)26-11-5-8-21(13-26)7-3-4-9-24-21/h6,10,12,24H,3-5,7-9,11,13H2,1-2H3,(H,22,23).
What are the key properties of 4-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,5-dimethyl-1,2-oxazole?
4-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 365.48 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,8-diazaspiro[5.5]undecan-8-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 165156478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).