N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluoro-4-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide

C26H25F2N5O3S — CID 118644301

About N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluoro-4-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide

N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluoro-4-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide (PubChem CID 118644301) has the molecular formula C26H25F2N5O3S and a molecular weight of 525.58 g/mol. Its IUPAC name is N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluoro-4-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluoro-4-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide
• PubChem CID: 118644301
• Molecular Formula: C26H25F2N5O3S
• Molecular Weight: 525.58 g/mol
• Exact Mass: 525.16
• IUPAC Name: N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluoro-4-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide
• SMILES: COc1cc(F)c(-c2cc3nc(C(=O)Nc4cnccc4N4C[C@@H](N)[C@H](O)[C@@H](C)C4)ccc3s2)c(F)c1
• InChI: InChI=1S/C26H25F2N5O3S/c1-13-11-33(12-17(29)25(13)34)21-5-6-30-10-20(21)32-26(35)18-3-4-22-19(31-18)9-23(37-22)24-15(27)7-14(36-2)8-16(24)28/h3-10,13,17,25,34H,11-12,29H2,1-2H3,(H,32,35)/t13-,17+,25+/m0/s1
• InChIKey: WOZOMUPQZBFTMK-GMWDSFAXSA-N
• XLogP: 4.04
• TPSA: 113.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.58
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluoro-4-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide?

The IUPAC name of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluoro-4-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide (CID 118644301) is N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluoro-4-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide.

What is the SMILES notation for N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluoro-4-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide?

The canonical SMILES for N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluoro-4-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide is COc1cc(F)c(-c2cc3nc(C(=O)Nc4cnccc4N4C[C@@H](N)[C@H](O)[C@@H](C)C4)ccc3s2)c(F)c1.

What is the InChIKey of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluoro-4-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide?

The InChIKey is WOZOMUPQZBFTMK-GMWDSFAXSA-N. The full InChI is InChI=1S/C26H25F2N5O3S/c1-13-11-33(12-17(29)25(13)34)21-5-6-30-10-20(21)32-26(35)18-3-4-22-19(31-18)9-23(37-22)24-15(27)7-14(36-2)8-16(24)28/h3-10,13,17,25,34H,11-12,29H2,1-2H3,(H,32,35)/t13-,17+,25+/m0/s1.

What are the key properties of N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluoro-4-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide?

N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluoro-4-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide has a molecular weight of 525.58 g/mol, XLogP of 4.04, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluoro-4-methoxyphenyl)thieno[3,2-b]pyridine-5-carboxamide is sourced from PubChem (CID 118644301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).