9-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C17H21N5O3 — CID 56909749

IUPAC9-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCn1c(CCC(=O)N2CCCC3(CNC(=O)O3)C2)nc2cccnc21
InChIInChI=1S/C17H21N5O3/c1-21-13(20-12-4-2-8-18-15(12)21)5-6-14(23)22-9-3-7-17(11-22)10-19-16(24)25-17/h2,4,8H,3,5-7,9-11H2,1H3,(H,19,24)
InChIKeyLHEGBENWFINHGM-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.00
Rot. Bonds3

About 9-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

9-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 56909749) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 9-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name9-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID56909749
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name9-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCn1c(CCC(=O)N2CCCC3(CNC(=O)O3)C2)nc2cccnc21
InChIInChI=1S/C17H21N5O3/c1-21-13(20-12-4-2-8-18-15(12)21)5-6-14(23)22-9-3-7-17(11-22)10-19-16(24)25-17/h2,4,8H,3,5-7,9-11H2,1H3,(H,19,24)
InChIKeyLHEGBENWFINHGM-UHFFFAOYSA-N
XLogP1.00
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 9-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 56909749) is 9-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 9-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 9-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is Cn1c(CCC(=O)N2CCCC3(CNC(=O)O3)C2)nc2cccnc21.
What is the InChIKey of 9-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is LHEGBENWFINHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-21-13(20-12-4-2-8-18-15(12)21)5-6-14(23)22-9-3-7-17(11-22)10-19-16(24)25-17/h2,4,8H,3,5-7,9-11H2,1H3,(H,19,24).
What are the key properties of 9-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
9-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 343.39 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 56909749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).