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

C26H31FN4O3S — CID 59525658

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

2-[[6-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide (PubChem CID 59525658) has the molecular formula C26H31FN4O3S and a molecular weight of 498.62 g/mol. Its IUPAC name is 2-[[6-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide.

Molecular Properties

• Compound Name: 2-[[6-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide
• PubChem CID: 59525658
• Molecular Formula: C26H31FN4O3S
• Molecular Weight: 498.62 g/mol
• Exact Mass: 498.21
• IUPAC Name: 2-[[6-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide
• SMILES: CC1CN(Cc2cccc(Nc3sc(-c4ccc(C(C)(C)O)cc4F)cc3C(N)=O)n2)CC(C)O1
• InChI: InChI=1S/C26H31FN4O3S/c1-15-12-31(13-16(2)34-15)14-18-6-5-7-23(29-18)30-25-20(24(28)32)11-22(35-25)19-9-8-17(10-21(19)27)26(3,4)33/h5-11,15-16,33H,12-14H2,1-4H3,(H2,28,32)(H,29,30)
• InChIKey: NQCQWCUKGAKMGQ-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 100.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.62
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[[6-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide (CID 59525658) is 2-[[6-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide.

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

The canonical SMILES for 2-[[6-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide is CC1CN(Cc2cccc(Nc3sc(-c4ccc(C(C)(C)O)cc4F)cc3C(N)=O)n2)CC(C)O1.

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

The InChIKey is NQCQWCUKGAKMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O3S/c1-15-12-31(13-16(2)34-15)14-18-6-5-7-23(29-18)30-25-20(24(28)32)11-22(35-25)19-9-8-17(10-21(19)27)26(3,4)33/h5-11,15-16,33H,12-14H2,1-4H3,(H2,28,32)(H,29,30).

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

2-[[6-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide has a molecular weight of 498.62 g/mol, XLogP of 4.63, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-[(2,6-dimethylmorpholin-4-yl)methyl]-2-pyridinyl]amino]-5-[2-fluoro-4-(2-hydroxypropan-2-yl)phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 59525658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).