6-butoxy-7-[5-[1-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]-1-[2-[(2S)-2-methyl-6-methylidenemorpholin-4-yl]-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one

C29H32FN5O4S — CID 88973523

IUPAC6-butoxy-7-[5-[1-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]-1-[2-[(2S)-2-methyl-6-methylidenemorpholin-4-yl]-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one
SMILESC=C1CN(C(=O)Cn2ccn3c(=O)c(OCCCC)c(-c4ncc(C(C)c5ccc(F)cc5)s4)nc23)C[C@H](C)O1
InChIInChI=1S/C29H32FN5O4S/c1-5-6-13-38-26-25(27-31-14-23(40-27)20(4)21-7-9-22(30)10-8-21)32-29-33(11-12-35(29)28(26)37)17-24(36)34-15-18(2)39-19(3)16-34/h7-12,14,19-20H,2,5-6,13,15-17H2,1,3-4H3/t19-,20?/m0/s1
InChIKeyMQFAWCQFYLSGAT-XJDOXCRVSA-N
MW565.67 g/mol
LogP4.85
Rot. Bonds9

About 6-butoxy-7-[5-[1-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]-1-[2-[(2S)-2-methyl-6-methylidenemorpholin-4-yl]-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one

6-butoxy-7-[5-[1-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]-1-[2-[(2S)-2-methyl-6-methylidenemorpholin-4-yl]-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one (PubChem CID 88973523) has the molecular formula C29H32FN5O4S and a molecular weight of 565.67 g/mol. Its IUPAC name is 6-butoxy-7-[5-[1-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]-1-[2-[(2S)-2-methyl-6-methylidenemorpholin-4-yl]-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-butoxy-7-[5-[1-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]-1-[2-[(2S)-2-methyl-6-methylidenemorpholin-4-yl]-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one
PubChem CID88973523
Molecular FormulaC29H32FN5O4S
Molecular Weight565.67 g/mol
Exact Mass565.22
IUPAC Name6-butoxy-7-[5-[1-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]-1-[2-[(2S)-2-methyl-6-methylidenemorpholin-4-yl]-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one
SMILESC=C1CN(C(=O)Cn2ccn3c(=O)c(OCCCC)c(-c4ncc(C(C)c5ccc(F)cc5)s4)nc23)C[C@H](C)O1
InChIInChI=1S/C29H32FN5O4S/c1-5-6-13-38-26-25(27-31-14-23(40-27)20(4)21-7-9-22(30)10-8-21)32-29-33(11-12-35(29)28(26)37)17-24(36)34-15-18(2)39-19(3)16-34/h7-12,14,19-20H,2,5-6,13,15-17H2,1,3-4H3/t19-,20?/m0/s1
InChIKeyMQFAWCQFYLSGAT-XJDOXCRVSA-N
XLogP4.85
TPSA90.96 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.67
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-butoxy-7-[5-[1-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]-1-[2-[(2S)-2-methyl-6-methylidenemorpholin-4-yl]-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-7-[5-[1-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]-1-[2-[(2S)-2-methyl-6-methylidenemorpholin-4-yl]-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 6-butoxy-7-[5-[1-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]-1-[2-[(2S)-2-methyl-6-methylidenemorpholin-4-yl]-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one (CID 88973523) is 6-butoxy-7-[5-[1-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]-1-[2-[(2S)-2-methyl-6-methylidenemorpholin-4-yl]-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-butoxy-7-[5-[1-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]-1-[2-[(2S)-2-methyl-6-methylidenemorpholin-4-yl]-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 6-butoxy-7-[5-[1-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]-1-[2-[(2S)-2-methyl-6-methylidenemorpholin-4-yl]-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one is C=C1CN(C(=O)Cn2ccn3c(=O)c(OCCCC)c(-c4ncc(C(C)c5ccc(F)cc5)s4)nc23)C[C@H](C)O1.
What is the InChIKey of 6-butoxy-7-[5-[1-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]-1-[2-[(2S)-2-methyl-6-methylidenemorpholin-4-yl]-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is MQFAWCQFYLSGAT-XJDOXCRVSA-N. The full InChI is InChI=1S/C29H32FN5O4S/c1-5-6-13-38-26-25(27-31-14-23(40-27)20(4)21-7-9-22(30)10-8-21)32-29-33(11-12-35(29)28(26)37)17-24(36)34-15-18(2)39-19(3)16-34/h7-12,14,19-20H,2,5-6,13,15-17H2,1,3-4H3/t19-,20?/m0/s1.
What are the key properties of 6-butoxy-7-[5-[1-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]-1-[2-[(2S)-2-methyl-6-methylidenemorpholin-4-yl]-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one?
6-butoxy-7-[5-[1-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]-1-[2-[(2S)-2-methyl-6-methylidenemorpholin-4-yl]-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 565.67 g/mol, XLogP of 4.85, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-7-[5-[1-(4-fluorophenyl)ethyl]-1,3-thiazol-2-yl]-1-[2-[(2S)-2-methyl-6-methylidenemorpholin-4-yl]-2-oxoethyl]imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 88973523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).