2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6-pyrrolidin-1-yl-5-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one

C23H24F3N5O2S — CID 158775915

IUPAC2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6-pyrrolidin-1-yl-5-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESO=C(CCc1ccccc1)[C@H]1CCCN1c1nc2c(=O)n(N3CCCC3)c(C(F)(F)F)nc2s1
InChIInChI=1S/C23H24F3N5O2S/c24-23(25,26)21-28-19-18(20(33)31(21)29-12-4-5-13-29)27-22(34-19)30-14-6-9-16(30)17(32)11-10-15-7-2-1-3-8-15/h1-3,7-8,16H,4-6,9-14H2/t16-/m1/s1
InChIKeyIQLUUZUNUCYOJZ-MRXNPFEDSA-N
MW491.54 g/mol
LogP3.77
Rot. Bonds6

About 2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6-pyrrolidin-1-yl-5-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one

2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6-pyrrolidin-1-yl-5-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one (PubChem CID 158775915) has the molecular formula C23H24F3N5O2S and a molecular weight of 491.54 g/mol. Its IUPAC name is 2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6-pyrrolidin-1-yl-5-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6-pyrrolidin-1-yl-5-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one
PubChem CID158775915
Molecular FormulaC23H24F3N5O2S
Molecular Weight491.54 g/mol
Exact Mass491.16
IUPAC Name2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6-pyrrolidin-1-yl-5-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one
SMILESO=C(CCc1ccccc1)[C@H]1CCCN1c1nc2c(=O)n(N3CCCC3)c(C(F)(F)F)nc2s1
InChIInChI=1S/C23H24F3N5O2S/c24-23(25,26)21-28-19-18(20(33)31(21)29-12-4-5-13-29)27-22(34-19)30-14-6-9-16(30)17(32)11-10-15-7-2-1-3-8-15/h1-3,7-8,16H,4-6,9-14H2/t16-/m1/s1
InChIKeyIQLUUZUNUCYOJZ-MRXNPFEDSA-N
XLogP3.77
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.54
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6-(piperidin-4-ylmethyl)-5-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 153259312
2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-5-(trifluoromethyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 160792966
5-[2-(dimethylamino)ethyl]-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6-propan-2-yl-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 160527109
5-(5-methylthiophen-2-yl)-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 157443972
6-cyclopropyl-2-[(2R)-2-[3-(3-fluorophenyl)propanoyl]pyrrolidin-1-yl]-5-methyl-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 161454457
6-[(2,4-dimethoxyphenyl)methyl]-5-(2-fluoro-3-methoxyphenyl)-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 159728097
2-[(2R)-2-[(3S)-3-phenylbutanoyl]pyrrolidin-1-yl]-5-(trifluoromethyl)-6H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
CID 159531323
3-phenyl-1-[(2R)-1-(7-propyl-[1,3]thiazolo[4,5-d]pyrimidin-2-yl)pyrrolidin-2-yl]propan-1-one
CID 159476809
7-methyl-2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyridin-5-one
CID 159549311
2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 148769601
7-methyl-2-[(2R)-2-[3-[4-(trifluoromethyl)phenyl]propanoyl]pyrrolidin-1-yl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 147987489
1-[(2R)-1-[7-ethyl-5-(propan-2-yloxymethyl)-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]pyrrolidin-2-yl]-3-phenylpropan-1-one
CID 159506046

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6-pyrrolidin-1-yl-5-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The IUPAC name of 2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6-pyrrolidin-1-yl-5-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one (CID 158775915) is 2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6-pyrrolidin-1-yl-5-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one.
What is the SMILES notation for 2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6-pyrrolidin-1-yl-5-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The canonical SMILES for 2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6-pyrrolidin-1-yl-5-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one is O=C(CCc1ccccc1)[C@H]1CCCN1c1nc2c(=O)n(N3CCCC3)c(C(F)(F)F)nc2s1.
What is the InChIKey of 2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6-pyrrolidin-1-yl-5-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
The InChIKey is IQLUUZUNUCYOJZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H24F3N5O2S/c24-23(25,26)21-28-19-18(20(33)31(21)29-12-4-5-13-29)27-22(34-19)30-14-6-9-16(30)17(32)11-10-15-7-2-1-3-8-15/h1-3,7-8,16H,4-6,9-14H2/t16-/m1/s1.
What are the key properties of 2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6-pyrrolidin-1-yl-5-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one?
2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6-pyrrolidin-1-yl-5-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one has a molecular weight of 491.54 g/mol, XLogP of 3.77, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(3-phenylpropanoyl)pyrrolidin-1-yl]-6-pyrrolidin-1-yl-5-(trifluoromethyl)-[1,3]thiazolo[5,4-d]pyrimidin-7-one is sourced from PubChem (CID 158775915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).