2-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one

C22H24N4O3 — CID 138387872

IUPAC2-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESCOc1ccc(-c2nc3ccccn3c2CN2CCC3(CNC(=O)CO3)C2)cc1
InChIInChI=1S/C22H24N4O3/c1-28-17-7-5-16(6-8-17)21-18(26-10-3-2-4-19(26)24-21)12-25-11-9-22(15-25)14-23-20(27)13-29-22/h2-8,10H,9,11-15H2,1H3,(H,23,27)
InChIKeyCTXNHBREGCPTQN-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.10
Rot. Bonds4

About 2-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one

2-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one (PubChem CID 138387872) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name2-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
PubChem CID138387872
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one
SMILESCOc1ccc(-c2nc3ccccn3c2CN2CCC3(CNC(=O)CO3)C2)cc1
InChIInChI=1S/C22H24N4O3/c1-28-17-7-5-16(6-8-17)21-18(26-10-3-2-4-19(26)24-21)12-25-11-9-22(15-25)14-23-20(27)13-29-22/h2-8,10H,9,11-15H2,1H3,(H,23,27)
InChIKeyCTXNHBREGCPTQN-UHFFFAOYSA-N
XLogP2.10
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The IUPAC name of 2-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one (CID 138387872) is 2-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one.
What is the SMILES notation for 2-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The canonical SMILES for 2-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one is COc1ccc(-c2nc3ccccn3c2CN2CCC3(CNC(=O)CO3)C2)cc1.
What is the InChIKey of 2-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
The InChIKey is CTXNHBREGCPTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-28-17-7-5-16(6-8-17)21-18(26-10-3-2-4-19(26)24-21)12-25-11-9-22(15-25)14-23-20(27)13-29-22/h2-8,10H,9,11-15H2,1H3,(H,23,27).
What are the key properties of 2-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one?
2-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one has a molecular weight of 392.46 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-6-oxa-2,9-diazaspiro[4.5]decan-8-one is sourced from PubChem (CID 138387872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).