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

C25H23F2N5O3S — CID 59525577

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

2-[[6-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide (PubChem CID 59525577) has the molecular formula C25H23F2N5O3S and a molecular weight of 511.55 g/mol. Its IUPAC name is 2-[[6-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: 2-[[6-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide
• PubChem CID: 59525577
• Molecular Formula: C25H23F2N5O3S
• Molecular Weight: 511.55 g/mol
• Exact Mass: 511.15
• IUPAC Name: 2-[[6-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide
• SMILES: CC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3cccc(Cc4nnc(C5CC5)o4)n3)s2)c(F)c1
• InChI: InChI=1S/C25H23F2N5O3S/c1-25(2,34)13-8-16(26)21(17(27)9-13)18-11-15(22(28)33)24(36-18)30-19-5-3-4-14(29-19)10-20-31-32-23(35-20)12-6-7-12/h3-5,8-9,11-12,34H,6-7,10H2,1-2H3,(H2,28,33)(H,29,30)
• InChIKey: ROYBVAFNABTCQW-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 127.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.55
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide?

The IUPAC name of 2-[[6-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide (CID 59525577) is 2-[[6-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide.

What is the SMILES notation for 2-[[6-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide?

The canonical SMILES for 2-[[6-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide is CC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3cccc(Cc4nnc(C5CC5)o4)n3)s2)c(F)c1.

What is the InChIKey of 2-[[6-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide?

The InChIKey is ROYBVAFNABTCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O3S/c1-25(2,34)13-8-16(26)21(17(27)9-13)18-11-15(22(28)33)24(36-18)30-19-5-3-4-14(29-19)10-20-31-32-23(35-20)12-6-7-12/h3-5,8-9,11-12,34H,6-7,10H2,1-2H3,(H2,28,33)(H,29,30).

What are the key properties of 2-[[6-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide?

2-[[6-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide has a molecular weight of 511.55 g/mol, XLogP of 5.01, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridinyl]amino]-5-[2,6-difluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 59525577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).