2-[2-fluoro-4-[2-[[4-(6-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide

C23H17F2N5O3S — CID 137408526

IUPAC2-[2-fluoro-4-[2-[[4-(6-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide
SMILESCc1sc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)nc1-c1cccc(F)n1
InChIInChI=1S/C23H17F2N5O3S/c1-12-20(16-5-2-6-18(25)28-16)30-23(34-12)29-19(31)11-13-7-8-17(15(24)10-13)33-22-14(21(26)32)4-3-9-27-22/h2-10H,11H2,1H3,(H2,26,32)(H,29,30,31)
InChIKeyNPMAZYOZUNOVKR-UHFFFAOYSA-N
MW481.48 g/mol
LogP4.26
Rot. Bonds7

About 2-[2-fluoro-4-[2-[[4-(6-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide

2-[2-fluoro-4-[2-[[4-(6-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide (PubChem CID 137408526) has the molecular formula C23H17F2N5O3S and a molecular weight of 481.48 g/mol. Its IUPAC name is 2-[2-fluoro-4-[2-[[4-(6-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[2-fluoro-4-[2-[[4-(6-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide
PubChem CID137408526
Molecular FormulaC23H17F2N5O3S
Molecular Weight481.48 g/mol
Exact Mass481.10
IUPAC Name2-[2-fluoro-4-[2-[[4-(6-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide
SMILESCc1sc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)nc1-c1cccc(F)n1
InChIInChI=1S/C23H17F2N5O3S/c1-12-20(16-5-2-6-18(25)28-16)30-23(34-12)29-19(31)11-13-7-8-17(15(24)10-13)33-22-14(21(26)32)4-3-9-27-22/h2-10H,11H2,1H3,(H2,26,32)(H,29,30,31)
InChIKeyNPMAZYOZUNOVKR-UHFFFAOYSA-N
XLogP4.26
TPSA120.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.48
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[2-[[4-(6-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide?
The IUPAC name of 2-[2-fluoro-4-[2-[[4-(6-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide (CID 137408526) is 2-[2-fluoro-4-[2-[[4-(6-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 2-[2-fluoro-4-[2-[[4-(6-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 2-[2-fluoro-4-[2-[[4-(6-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide is Cc1sc(NC(=O)Cc2ccc(Oc3ncccc3C(N)=O)c(F)c2)nc1-c1cccc(F)n1.
What is the InChIKey of 2-[2-fluoro-4-[2-[[4-(6-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide?
The InChIKey is NPMAZYOZUNOVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N5O3S/c1-12-20(16-5-2-6-18(25)28-16)30-23(34-12)29-19(31)11-13-7-8-17(15(24)10-13)33-22-14(21(26)32)4-3-9-27-22/h2-10H,11H2,1H3,(H2,26,32)(H,29,30,31).
What are the key properties of 2-[2-fluoro-4-[2-[[4-(6-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide?
2-[2-fluoro-4-[2-[[4-(6-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide has a molecular weight of 481.48 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[2-[[4-(6-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 137408526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).