8-[(5-methoxy-3-pyridinyl)methyl]-4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C26H30N4O3S — CID 134810711

IUPAC8-[(5-methoxy-3-pyridinyl)methyl]-4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOc1cncc(CN2CCC3(CC2)OC(=O)N(Cc2csc(C)n2)C3(C)c2ccccc2)c1
InChIInChI=1S/C26H30N4O3S/c1-19-28-22(18-34-19)17-30-24(31)33-26(25(30,2)21-7-5-4-6-8-21)9-11-29(12-10-26)16-20-13-23(32-3)15-27-14-20/h4-8,13-15,18H,9-12,16-17H2,1-3H3
InChIKeyLWMXNGVAJVHBDM-UHFFFAOYSA-N
MW478.62 g/mol
LogP4.76
Rot. Bonds6

About 8-[(5-methoxy-3-pyridinyl)methyl]-4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[(5-methoxy-3-pyridinyl)methyl]-4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 134810711) has the molecular formula C26H30N4O3S and a molecular weight of 478.62 g/mol. Its IUPAC name is 8-[(5-methoxy-3-pyridinyl)methyl]-4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[(5-methoxy-3-pyridinyl)methyl]-4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID134810711
Molecular FormulaC26H30N4O3S
Molecular Weight478.62 g/mol
Exact Mass478.20
IUPAC Name8-[(5-methoxy-3-pyridinyl)methyl]-4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOc1cncc(CN2CCC3(CC2)OC(=O)N(Cc2csc(C)n2)C3(C)c2ccccc2)c1
InChIInChI=1S/C26H30N4O3S/c1-19-28-22(18-34-19)17-30-24(31)33-26(25(30,2)21-7-5-4-6-8-21)9-11-29(12-10-26)16-20-13-23(32-3)15-27-14-20/h4-8,13-15,18H,9-12,16-17H2,1-3H3
InChIKeyLWMXNGVAJVHBDM-UHFFFAOYSA-N
XLogP4.76
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[(5-methoxy-3-pyridinyl)methyl]-4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[(5-methoxy-3-pyridinyl)methyl]-4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 134810711) is 8-[(5-methoxy-3-pyridinyl)methyl]-4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[(5-methoxy-3-pyridinyl)methyl]-4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[(5-methoxy-3-pyridinyl)methyl]-4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is COc1cncc(CN2CCC3(CC2)OC(=O)N(Cc2csc(C)n2)C3(C)c2ccccc2)c1.
What is the InChIKey of 8-[(5-methoxy-3-pyridinyl)methyl]-4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is LWMXNGVAJVHBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3S/c1-19-28-22(18-34-19)17-30-24(31)33-26(25(30,2)21-7-5-4-6-8-21)9-11-29(12-10-26)16-20-13-23(32-3)15-27-14-20/h4-8,13-15,18H,9-12,16-17H2,1-3H3.
What are the key properties of 8-[(5-methoxy-3-pyridinyl)methyl]-4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[(5-methoxy-3-pyridinyl)methyl]-4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 478.62 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-methoxy-3-pyridinyl)methyl]-4-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-phenyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 134810711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).