6-[4-methyl-6-(1,3-thiazol-4-yl)-3-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one

C30H26N8OS2 — CID 90210775

IUPAC6-[4-methyl-6-(1,3-thiazol-4-yl)-3-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(-c2cscn2)ncc1-c1cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n(-c2nccs2)c1=O
InChIInChI=1S/C30H26N8OS2/c1-18-12-25(26-16-40-17-35-26)33-15-24(18)23-13-21-14-34-29(37-27(21)38(28(23)39)30-32-10-11-41-30)36-22-4-2-19(3-5-22)20-6-8-31-9-7-20/h2-5,10-17,20,31H,6-9H2,1H3,(H,34,36,37)
InChIKeyCEYPANVUZREGQZ-UHFFFAOYSA-N
MW578.73 g/mol
LogP5.94
Rot. Bonds6

About 6-[4-methyl-6-(1,3-thiazol-4-yl)-3-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one

6-[4-methyl-6-(1,3-thiazol-4-yl)-3-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 90210775) has the molecular formula C30H26N8OS2 and a molecular weight of 578.73 g/mol. Its IUPAC name is 6-[4-methyl-6-(1,3-thiazol-4-yl)-3-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[4-methyl-6-(1,3-thiazol-4-yl)-3-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID90210775
Molecular FormulaC30H26N8OS2
Molecular Weight578.73 g/mol
Exact Mass578.17
IUPAC Name6-[4-methyl-6-(1,3-thiazol-4-yl)-3-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
SMILESCc1cc(-c2cscn2)ncc1-c1cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n(-c2nccs2)c1=O
InChIInChI=1S/C30H26N8OS2/c1-18-12-25(26-16-40-17-35-26)33-15-24(18)23-13-21-14-34-29(37-27(21)38(28(23)39)30-32-10-11-41-30)36-22-4-2-19(3-5-22)20-6-8-31-9-7-20/h2-5,10-17,20,31H,6-9H2,1H3,(H,34,36,37)
InChIKeyCEYPANVUZREGQZ-UHFFFAOYSA-N
XLogP5.94
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500578.73
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 6-[4-methyl-6-(1,3-thiazol-4-yl)-3-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-methyl-6-(1,3-thiazol-4-yl)-3-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[4-methyl-6-(1,3-thiazol-4-yl)-3-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one (CID 90210775) is 6-[4-methyl-6-(1,3-thiazol-4-yl)-3-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[4-methyl-6-(1,3-thiazol-4-yl)-3-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[4-methyl-6-(1,3-thiazol-4-yl)-3-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one is Cc1cc(-c2cscn2)ncc1-c1cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n(-c2nccs2)c1=O.
What is the InChIKey of 6-[4-methyl-6-(1,3-thiazol-4-yl)-3-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is CEYPANVUZREGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N8OS2/c1-18-12-25(26-16-40-17-35-26)33-15-24(18)23-13-21-14-34-29(37-27(21)38(28(23)39)30-32-10-11-41-30)36-22-4-2-19(3-5-22)20-6-8-31-9-7-20/h2-5,10-17,20,31H,6-9H2,1H3,(H,34,36,37).
What are the key properties of 6-[4-methyl-6-(1,3-thiazol-4-yl)-3-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one?
6-[4-methyl-6-(1,3-thiazol-4-yl)-3-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 578.73 g/mol, XLogP of 5.94, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-methyl-6-(1,3-thiazol-4-yl)-3-pyridinyl]-2-(4-piperidin-4-ylanilino)-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 90210775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).