9-methyl-2-[3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one

C23H25N5O3 — CID 176504094

IUPAC9-methyl-2-[3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESCN1CC2(CCN(C(=O)c3cnc4c(c3)ncn4CCc3ccccc3)C2)OCC1=O
InChIInChI=1S/C23H25N5O3/c1-26-14-23(31-13-20(26)29)8-10-27(15-23)22(30)18-11-19-21(24-12-18)28(16-25-19)9-7-17-5-3-2-4-6-17/h2-6,11-12,16H,7-10,13-15H2,1H3
InChIKeyWDDJPPMQULVQAH-UHFFFAOYSA-N
MW419.49 g/mol
LogP1.75
Rot. Bonds4

About 9-methyl-2-[3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one

9-methyl-2-[3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one (PubChem CID 176504094) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 9-methyl-2-[3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name9-methyl-2-[3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
PubChem CID176504094
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name9-methyl-2-[3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESCN1CC2(CCN(C(=O)c3cnc4c(c3)ncn4CCc3ccccc3)C2)OCC1=O
InChIInChI=1S/C23H25N5O3/c1-26-14-23(31-13-20(26)29)8-10-27(15-23)22(30)18-11-19-21(24-12-18)28(16-25-19)9-7-17-5-3-2-4-6-17/h2-6,11-12,16H,7-10,13-15H2,1H3
InChIKeyWDDJPPMQULVQAH-UHFFFAOYSA-N
XLogP1.75
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-methyl-2-[3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one with MolForge

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Related Compounds

2-methyl-8-[3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
CID 176503516
2-(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 176500676
8a-ethyl-7-[3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carbonyl]-1,5,6,8-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 176506766
[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[3-(2-phenylethyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176504399
(5S)-9-methyl-2-(1-methyl-5-phenylpyrazole-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 126425152
[(4aS,7aS)-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazin-6-yl]-[3-(2-phenylethyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176506365
[(3aR,4R,5S,6aR)-4,5-bis(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[3-(2-phenylethyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176505777
(5S)-3-(2-phenylethyl)-7-(6-pyrazol-1-ylpyridine-3-carbonyl)-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
CID 125004380
8-(6-methylpyridine-3-carbonyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70729484
(6S)-10-[6-(1-methylpyrazol-4-yl)pyridine-3-carbonyl]-4-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 125007610
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176506792
9-methyl-2-(1-methyl-2-oxoquinoline-3-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 119062413

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-[3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The IUPAC name of 9-methyl-2-[3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one (CID 176504094) is 9-methyl-2-[3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one.
What is the SMILES notation for 9-methyl-2-[3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The canonical SMILES for 9-methyl-2-[3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one is CN1CC2(CCN(C(=O)c3cnc4c(c3)ncn4CCc3ccccc3)C2)OCC1=O.
What is the InChIKey of 9-methyl-2-[3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The InChIKey is WDDJPPMQULVQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-26-14-23(31-13-20(26)29)8-10-27(15-23)22(30)18-11-19-21(24-12-18)28(16-25-19)9-7-17-5-3-2-4-6-17/h2-6,11-12,16H,7-10,13-15H2,1H3.
What are the key properties of 9-methyl-2-[3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
9-methyl-2-[3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one has a molecular weight of 419.49 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-[3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carbonyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one is sourced from PubChem (CID 176504094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).