3-[2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyphenyl]-2,5-dimethyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one

C24H27Cl2N5O3 — CID 146373938

IUPAC3-[2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyphenyl]-2,5-dimethyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one
SMILESCc1c(N2CCC3(CCOC3)CC2)nc(C)n(-c2ccc(Oc3ccn(C)n3)c(Cl)c2Cl)c1=O
InChIInChI=1S/C24H27Cl2N5O3/c1-15-22(30-11-7-24(8-12-30)9-13-33-14-24)27-16(2)31(23(15)32)17-4-5-18(21(26)20(17)25)34-19-6-10-29(3)28-19/h4-6,10H,7-9,11-14H2,1-3H3
InChIKeyBWBAVDCIGBBGLJ-UHFFFAOYSA-N
MW504.42 g/mol
LogP4.69
Rot. Bonds4

About 3-[2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyphenyl]-2,5-dimethyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one

3-[2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyphenyl]-2,5-dimethyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one (PubChem CID 146373938) has the molecular formula C24H27Cl2N5O3 and a molecular weight of 504.42 g/mol. Its IUPAC name is 3-[2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyphenyl]-2,5-dimethyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one.

Molecular Properties

Compound Name3-[2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyphenyl]-2,5-dimethyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one
PubChem CID146373938
Molecular FormulaC24H27Cl2N5O3
Molecular Weight504.42 g/mol
Exact Mass503.15
IUPAC Name3-[2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyphenyl]-2,5-dimethyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one
SMILESCc1c(N2CCC3(CCOC3)CC2)nc(C)n(-c2ccc(Oc3ccn(C)n3)c(Cl)c2Cl)c1=O
InChIInChI=1S/C24H27Cl2N5O3/c1-15-22(30-11-7-24(8-12-30)9-13-33-14-24)27-16(2)31(23(15)32)17-4-5-18(21(26)20(17)25)34-19-6-10-29(3)28-19/h4-6,10H,7-9,11-14H2,1-3H3
InChIKeyBWBAVDCIGBBGLJ-UHFFFAOYSA-N
XLogP4.69
TPSA74.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.42
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyphenyl]-2,5-dimethyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyphenyl]-2,5-dimethyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one?
The IUPAC name of 3-[2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyphenyl]-2,5-dimethyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one (CID 146373938) is 3-[2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyphenyl]-2,5-dimethyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one.
What is the SMILES notation for 3-[2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyphenyl]-2,5-dimethyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one?
The canonical SMILES for 3-[2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyphenyl]-2,5-dimethyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one is Cc1c(N2CCC3(CCOC3)CC2)nc(C)n(-c2ccc(Oc3ccn(C)n3)c(Cl)c2Cl)c1=O.
What is the InChIKey of 3-[2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyphenyl]-2,5-dimethyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one?
The InChIKey is BWBAVDCIGBBGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27Cl2N5O3/c1-15-22(30-11-7-24(8-12-30)9-13-33-14-24)27-16(2)31(23(15)32)17-4-5-18(21(26)20(17)25)34-19-6-10-29(3)28-19/h4-6,10H,7-9,11-14H2,1-3H3.
What are the key properties of 3-[2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyphenyl]-2,5-dimethyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one?
3-[2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyphenyl]-2,5-dimethyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one has a molecular weight of 504.42 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,3-dichloro-4-(1-methylpyrazol-3-yl)oxyphenyl]-2,5-dimethyl-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one is sourced from PubChem (CID 146373938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).