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OLWOEZWROPDSMA-UHFFFAOYSA-N

C24H18F3N5O4S — CID 137408503

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-[4-[2-[[4-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide
SMILESCc1sc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)nc1-c1ccc(=O)n(C(F)F)c1
InChIInChI=1S/C24H18F3N5O4S/c1-12-20(14-5-7-19(34)32(11-14)23(26)27)31-24(37-12)30-18(33)10-13-4-6-17(16(25)9-13)36-22-15(21(28)35)3-2-8-29-22/h2-9,11,23H,10H2,1H3,(H2,28,35)(H,30,31,33)
InChIKeyOLWOEZWROPDSMA-UHFFFAOYSA-N
MW529.50 g/mol
LogP4.28
Rot. Bonds8

About OLWOEZWROPDSMA-UHFFFAOYSA-N

OLWOEZWROPDSMA-UHFFFAOYSA-N (PubChem CID 137408503) has the molecular formula C24H18F3N5O4S and a molecular weight of 529.50 g/mol. Its IUPAC name is 2-[4-[2-[[4-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameOLWOEZWROPDSMA-UHFFFAOYSA-N
PubChem CID137408503
Molecular FormulaC24H18F3N5O4S
Molecular Weight529.50 g/mol
Exact Mass529.10
IUPAC Name2-[4-[2-[[4-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide
SMILESCc1sc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)nc1-c1ccc(=O)n(C(F)F)c1
InChIInChI=1S/C24H18F3N5O4S/c1-12-20(14-5-7-19(34)32(11-14)23(26)27)31-24(37-12)30-18(33)10-13-4-6-17(16(25)9-13)36-22-15(21(28)35)3-2-8-29-22/h2-9,11,23H,10H2,1H3,(H2,28,35)(H,30,31,33)
InChIKeyOLWOEZWROPDSMA-UHFFFAOYSA-N
XLogP4.28
TPSA129.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.50
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of OLWOEZWROPDSMA-UHFFFAOYSA-N?
The IUPAC name of OLWOEZWROPDSMA-UHFFFAOYSA-N (CID 137408503) is 2-[4-[2-[[4-[1-(difluoromethyl)-6-oxo-3-pyridinyl]-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-fluorophenoxy]pyridine-3-carboxamide.
What is the SMILES notation for OLWOEZWROPDSMA-UHFFFAOYSA-N?
The canonical SMILES for OLWOEZWROPDSMA-UHFFFAOYSA-N is Cc1sc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)nc1-c1ccc(=O)n(C(F)F)c1.
What is the InChIKey of OLWOEZWROPDSMA-UHFFFAOYSA-N?
The InChIKey is OLWOEZWROPDSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N5O4S/c1-12-20(14-5-7-19(34)32(11-14)23(26)27)31-24(37-12)30-18(33)10-13-4-6-17(16(25)9-13)36-22-15(21(28)35)3-2-8-29-22/h2-9,11,23H,10H2,1H3,(H2,28,35)(H,30,31,33).
What are the key properties of OLWOEZWROPDSMA-UHFFFAOYSA-N?
OLWOEZWROPDSMA-UHFFFAOYSA-N has a molecular weight of 529.50 g/mol, XLogP of 4.28, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for OLWOEZWROPDSMA-UHFFFAOYSA-N is sourced from PubChem (CID 137408503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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