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

C24H26N6O3S — CID 58182534

IUPAC4-[(3S)-3-[5-[2-(2-tert-butylpyrimidin-4-yl)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)Cc2ccnc(C(C)(C)C)n2)s1
InChIInChI=1S/C24H26N6O3S/c1-13(9-17(32)20-15-5-6-19(33)30-21(15)28-12-27-20)22-26-11-18(34-22)16(31)10-14-7-8-25-23(29-14)24(2,3)4/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,27,28,30,33)/t13-/m0/s1
InChIKeyJDFBXWIUXWRTIG-ZDUSSCGKSA-N
MW478.58 g/mol
LogP3.71
Rot. Bonds7

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

4-[(3S)-3-[5-[2-(2-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 58182534) has the molecular formula C24H26N6O3S and a molecular weight of 478.58 g/mol. Its IUPAC name is 4-[(3S)-3-[5-[2-(2-tert-butylpyrimidin-4-yl)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-(2-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID58182534
Molecular FormulaC24H26N6O3S
Molecular Weight478.58 g/mol
Exact Mass478.18
IUPAC Name4-[(3S)-3-[5-[2-(2-tert-butylpyrimidin-4-yl)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)Cc2ccnc(C(C)(C)C)n2)s1
InChIInChI=1S/C24H26N6O3S/c1-13(9-17(32)20-15-5-6-19(33)30-21(15)28-12-27-20)22-26-11-18(34-22)16(31)10-14-7-8-25-23(29-14)24(2,3)4/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,27,28,30,33)/t13-/m0/s1
InChIKeyJDFBXWIUXWRTIG-ZDUSSCGKSA-N
XLogP3.71
TPSA127.69 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.58
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[(3S)-3-[5-[2-(2-tert-butylpyrimidin-4-yl)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-(2-tert-butylpyrimidin-4-yl)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-(2-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 58182534) is 4-[(3S)-3-[5-[2-(2-tert-butylpyrimidin-4-yl)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-(2-tert-butylpyrimidin-4-yl)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-(2-tert-butylpyrimidin-4-yl)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)Cc2ccnc(C(C)(C)C)n2)s1.
What is the InChIKey of 4-[(3S)-3-[5-[2-(2-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is JDFBXWIUXWRTIG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C24H26N6O3S/c1-13(9-17(32)20-15-5-6-19(33)30-21(15)28-12-27-20)22-26-11-18(34-22)16(31)10-14-7-8-25-23(29-14)24(2,3)4/h7-8,11-13H,5-6,9-10H2,1-4H3,(H,27,28,30,33)/t13-/m0/s1.
What are the key properties of 4-[(3S)-3-[5-[2-(2-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
4-[(3S)-3-[5-[2-(2-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 478.58 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-[5-[2-(2-tert-butylpyrimidin-4-yl)acetyl]-1,3-thiazol-2-yl]butanoyl]-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 58182534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).