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

C26H29FN6O3S — CID 90701683

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

5-[2-fluoro-4-(1-hydroxypropyl)phenyl]-2-[[6-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide (PubChem CID 90701683) has the molecular formula C26H29FN6O3S and a molecular weight of 524.62 g/mol. Its IUPAC name is 5-[2-fluoro-4-(1-hydroxypropyl)phenyl]-2-[[6-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-fluoro-4-(1-hydroxypropyl)phenyl]-2-[[6-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
• PubChem CID: 90701683
• Molecular Formula: C26H29FN6O3S
• Molecular Weight: 524.62 g/mol
• Exact Mass: 524.20
• IUPAC Name: 5-[2-fluoro-4-(1-hydroxypropyl)phenyl]-2-[[6-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide
• SMILES: CCC(O)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(CNCc4nc(C(C)C)no4)n3)s2)c(F)c1
• InChI: InChI=1S/C26H29FN6O3S/c1-4-20(34)15-8-9-17(19(27)10-15)21-11-18(24(28)35)26(37-21)31-22-7-5-6-16(30-22)12-29-13-23-32-25(14(2)3)33-36-23/h5-11,14,20,29,34H,4,12-13H2,1-3H3,(H2,28,35)(H,30,31)
• InChIKey: KLRILJHPRGQXTN-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 139.19 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	524.62
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-(1-hydroxypropyl)phenyl]-2-[[6-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?

The IUPAC name of 5-[2-fluoro-4-(1-hydroxypropyl)phenyl]-2-[[6-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide (CID 90701683) is 5-[2-fluoro-4-(1-hydroxypropyl)phenyl]-2-[[6-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide.

What is the SMILES notation for 5-[2-fluoro-4-(1-hydroxypropyl)phenyl]-2-[[6-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?

The canonical SMILES for 5-[2-fluoro-4-(1-hydroxypropyl)phenyl]-2-[[6-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide is CCC(O)c1ccc(-c2cc(C(N)=O)c(Nc3cccc(CNCc4nc(C(C)C)no4)n3)s2)c(F)c1.

What is the InChIKey of 5-[2-fluoro-4-(1-hydroxypropyl)phenyl]-2-[[6-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?

The InChIKey is KLRILJHPRGQXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6O3S/c1-4-20(34)15-8-9-17(19(27)10-15)21-11-18(24(28)35)26(37-21)31-22-7-5-6-16(30-22)12-29-13-23-32-25(14(2)3)33-36-23/h5-11,14,20,29,34H,4,12-13H2,1-3H3,(H2,28,35)(H,30,31).

What are the key properties of 5-[2-fluoro-4-(1-hydroxypropyl)phenyl]-2-[[6-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide?

5-[2-fluoro-4-(1-hydroxypropyl)phenyl]-2-[[6-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide has a molecular weight of 524.62 g/mol, XLogP of 5.03, 11 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-hydroxypropyl)phenyl]-2-[[6-[[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]methyl]-2-pyridinyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 90701683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).