[(2S)-2-[(7-methoxy-8-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone

C25H27N5O2S — CID 25152687

IUPAC[(2S)-2-[(7-methoxy-8-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
SMILESCOc1ncn2cc(C[C@@H]3CCCCN3C(=O)c3nc(C)sc3-c3ccccc3)nc2c1C
InChIInChI=1S/C25H27N5O2S/c1-16-23-28-19(14-29(23)15-26-24(16)32-3)13-20-11-7-8-12-30(20)25(31)21-22(33-17(2)27-21)18-9-5-4-6-10-18/h4-6,9-10,14-15,20H,7-8,11-13H2,1-3H3/t20-/m0/s1
InChIKeyUKLISSRDMCSXIW-FQEVSTJZSA-N
MW461.59 g/mol
LogP4.72
Rot. Bonds5

About [(2S)-2-[(7-methoxy-8-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone

[(2S)-2-[(7-methoxy-8-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone (PubChem CID 25152687) has the molecular formula C25H27N5O2S and a molecular weight of 461.59 g/mol. Its IUPAC name is [(2S)-2-[(7-methoxy-8-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[(7-methoxy-8-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
PubChem CID25152687
Molecular FormulaC25H27N5O2S
Molecular Weight461.59 g/mol
Exact Mass461.19
IUPAC Name[(2S)-2-[(7-methoxy-8-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
SMILESCOc1ncn2cc(C[C@@H]3CCCCN3C(=O)c3nc(C)sc3-c3ccccc3)nc2c1C
InChIInChI=1S/C25H27N5O2S/c1-16-23-28-19(14-29(23)15-26-24(16)32-3)13-20-11-7-8-12-30(20)25(31)21-22(33-17(2)27-21)18-9-5-4-6-10-18/h4-6,9-10,14-15,20H,7-8,11-13H2,1-3H3/t20-/m0/s1
InChIKeyUKLISSRDMCSXIW-FQEVSTJZSA-N
XLogP4.72
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(7-methoxy-8-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [(2S)-2-[(7-methoxy-8-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone (CID 25152687) is [(2S)-2-[(7-methoxy-8-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-[(7-methoxy-8-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-[(7-methoxy-8-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone is COc1ncn2cc(C[C@@H]3CCCCN3C(=O)c3nc(C)sc3-c3ccccc3)nc2c1C.
What is the InChIKey of [(2S)-2-[(7-methoxy-8-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?
The InChIKey is UKLISSRDMCSXIW-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H27N5O2S/c1-16-23-28-19(14-29(23)15-26-24(16)32-3)13-20-11-7-8-12-30(20)25(31)21-22(33-17(2)27-21)18-9-5-4-6-10-18/h4-6,9-10,14-15,20H,7-8,11-13H2,1-3H3/t20-/m0/s1.
What are the key properties of [(2S)-2-[(7-methoxy-8-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?
[(2S)-2-[(7-methoxy-8-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone has a molecular weight of 461.59 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(7-methoxy-8-methylimidazo[1,2-c]pyrimidin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 25152687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).