5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide

C24H25FN6O3S — CID 25125832

IUPAC5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCc1nnc(CNCc2cccc(Nc3sc(-c4ccc(C(C)CO)cc4F)cc3C(N)=O)n2)o1
InChIInChI=1S/C24H25FN6O3S/c1-13(12-32)15-6-7-17(19(25)8-15)20-9-18(23(26)33)24(35-20)29-21-5-3-4-16(28-21)10-27-11-22-31-30-14(2)34-22/h3-9,13,27,32H,10-12H2,1-2H3,(H2,26,33)(H,28,29)
InChIKeyKJEWAUUKPLEHCN-UHFFFAOYSA-N
MW496.57 g/mol
LogP3.87
Rot. Bonds10

About 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide

5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 25125832) has the molecular formula C24H25FN6O3S and a molecular weight of 496.57 g/mol. Its IUPAC name is 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
PubChem CID25125832
Molecular FormulaC24H25FN6O3S
Molecular Weight496.57 g/mol
Exact Mass496.17
IUPAC Name5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
SMILESCc1nnc(CNCc2cccc(Nc3sc(-c4ccc(C(C)CO)cc4F)cc3C(N)=O)n2)o1
InChIInChI=1S/C24H25FN6O3S/c1-13(12-32)15-6-7-17(19(25)8-15)20-9-18(23(26)33)24(35-20)29-21-5-3-4-16(28-21)10-27-11-22-31-30-14(2)34-22/h3-9,13,27,32H,10-12H2,1-2H3,(H2,26,33)(H,28,29)
InChIKeyKJEWAUUKPLEHCN-UHFFFAOYSA-N
XLogP3.87
TPSA139.19 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.57
LogP ≤ 53.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?
The IUPAC name of 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide (CID 25125832) is 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide is Cc1nnc(CNCc2cccc(Nc3sc(-c4ccc(C(C)CO)cc4F)cc3C(N)=O)n2)o1.
What is the InChIKey of 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?
The InChIKey is KJEWAUUKPLEHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O3S/c1-13(12-32)15-6-7-17(19(25)8-15)20-9-18(23(26)33)24(35-20)29-21-5-3-4-16(28-21)10-27-11-22-31-30-14(2)34-22/h3-9,13,27,32H,10-12H2,1-2H3,(H2,26,33)(H,28,29).
What are the key properties of 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?
5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide has a molecular weight of 496.57 g/mol, XLogP of 3.87, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-(1-hydroxypropan-2-yl)phenyl]-2-[[6-[[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 25125832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).