4-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-7-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one

C19H15FN4O2S — CID 71854520

IUPAC4-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-7-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCc1cnc2c(c1)NC(=O)CN2C(=O)c1sc(-c2ccc(F)cc2)nc1C
InChIInChI=1S/C19H15FN4O2S/c1-10-7-14-17(21-8-10)24(9-15(25)23-14)19(26)16-11(2)22-18(27-16)12-3-5-13(20)6-4-12/h3-8H,9H2,1-2H3,(H,23,25)
InChIKeyXOQRTEICHGRATE-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.56
Rot. Bonds2

About 4-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-7-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one

4-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-7-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one (PubChem CID 71854520) has the molecular formula C19H15FN4O2S and a molecular weight of 382.42 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-7-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-7-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
PubChem CID71854520
Molecular FormulaC19H15FN4O2S
Molecular Weight382.42 g/mol
Exact Mass382.09
IUPAC Name4-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-7-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one
SMILESCc1cnc2c(c1)NC(=O)CN2C(=O)c1sc(-c2ccc(F)cc2)nc1C
InChIInChI=1S/C19H15FN4O2S/c1-10-7-14-17(21-8-10)24(9-15(25)23-14)19(26)16-11(2)22-18(27-16)12-3-5-13(20)6-4-12/h3-8H,9H2,1-2H3,(H,23,25)
InChIKeyXOQRTEICHGRATE-UHFFFAOYSA-N
XLogP3.56
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-7-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The IUPAC name of 4-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-7-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one (CID 71854520) is 4-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-7-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-7-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The canonical SMILES for 4-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-7-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one is Cc1cnc2c(c1)NC(=O)CN2C(=O)c1sc(-c2ccc(F)cc2)nc1C.
What is the InChIKey of 4-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-7-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
The InChIKey is XOQRTEICHGRATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2S/c1-10-7-14-17(21-8-10)24(9-15(25)23-14)19(26)16-11(2)22-18(27-16)12-3-5-13(20)6-4-12/h3-8H,9H2,1-2H3,(H,23,25).
What are the key properties of 4-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-7-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one?
4-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-7-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one has a molecular weight of 382.42 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-4-methyl-1,3-thiazole-5-carbonyl]-7-methyl-1,3-dihydropyrido[2,3-b]pyrazin-2-one is sourced from PubChem (CID 71854520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).