4-[(3S)-3-[5-[2-(4-tert-butylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C26H28N4O3S — CID 58182601

IUPAC4-[(3S)-3-[5-[2-(4-tert-butylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESC[C@@H](CC(=O)c1ncnc2c1CCC(=O)N2)c1ncc(C(=O)Cc2ccc(C(C)(C)C)cc2)s1
InChIInChI=1S/C26H28N4O3S/c1-15(11-20(32)23-18-9-10-22(33)30-24(18)29-14-28-23)25-27-13-21(34-25)19(31)12-16-5-7-17(8-6-16)26(2,3)4/h5-8,13-15H,9-12H2,1-4H3,(H,28,29,30,33)/t15-/m0/s1
InChIKeyGTSZSXVGDCEAND-HNNXBMFYSA-N
MW476.60 g/mol
LogP4.92
Rot. Bonds7

About 4-[(3S)-3-[5-[2-(4-tert-butylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

4-[(3S)-3-[5-[2-(4-tert-butylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 58182601) has the molecular formula C26H28N4O3S and a molecular weight of 476.60 g/mol. Its IUPAC name is 4-[(3S)-3-[5-[2-(4-tert-butylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-[(3S)-3-[5-[2-(4-tert-butylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID58182601
Molecular FormulaC26H28N4O3S
Molecular Weight476.60 g/mol
Exact Mass476.19
IUPAC Name4-[(3S)-3-[5-[2-(4-tert-butylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESC[C@@H](CC(=O)c1ncnc2c1CCC(=O)N2)c1ncc(C(=O)Cc2ccc(C(C)(C)C)cc2)s1
InChIInChI=1S/C26H28N4O3S/c1-15(11-20(32)23-18-9-10-22(33)30-24(18)29-14-28-23)25-27-13-21(34-25)19(31)12-16-5-7-17(8-6-16)26(2,3)4/h5-8,13-15H,9-12H2,1-4H3,(H,28,29,30,33)/t15-/m0/s1
InChIKeyGTSZSXVGDCEAND-HNNXBMFYSA-N
XLogP4.92
TPSA101.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.60
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(3S)-3-[5-[2-(4-tert-butylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-[5-[2-(4-tert-butylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-[(3S)-3-[5-[2-(4-tert-butylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 58182601) is 4-[(3S)-3-[5-[2-(4-tert-butylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-[(3S)-3-[5-[2-(4-tert-butylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-[(3S)-3-[5-[2-(4-tert-butylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is C[C@@H](CC(=O)c1ncnc2c1CCC(=O)N2)c1ncc(C(=O)Cc2ccc(C(C)(C)C)cc2)s1.
What is the InChIKey of 4-[(3S)-3-[5-[2-(4-tert-butylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GTSZSXVGDCEAND-HNNXBMFYSA-N. The full InChI is InChI=1S/C26H28N4O3S/c1-15(11-20(32)23-18-9-10-22(33)30-24(18)29-14-28-23)25-27-13-21(34-25)19(31)12-16-5-7-17(8-6-16)26(2,3)4/h5-8,13-15H,9-12H2,1-4H3,(H,28,29,30,33)/t15-/m0/s1.
What are the key properties of 4-[(3S)-3-[5-[2-(4-tert-butylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
4-[(3S)-3-[5-[2-(4-tert-butylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 476.60 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-[5-[2-(4-tert-butylphenyl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 58182601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).