N-(2,3-dimethylthieno[3,2-c]pyridin-4-yl)-2-fluoro-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide

C26H24FN7OS — CID 172532902

About N-(2,3-dimethylthieno[3,2-c]pyridin-4-yl)-2-fluoro-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide

N-(2,3-dimethylthieno[3,2-c]pyridin-4-yl)-2-fluoro-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide (PubChem CID 172532902) has the molecular formula C26H24FN7OS and a molecular weight of 501.59 g/mol. Its IUPAC name is N-(2,3-dimethylthieno[3,2-c]pyridin-4-yl)-2-fluoro-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide.

Molecular Properties

• Compound Name: N-(2,3-dimethylthieno[3,2-c]pyridin-4-yl)-2-fluoro-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
• PubChem CID: 172532902
• Molecular Formula: C26H24FN7OS
• Molecular Weight: 501.59 g/mol
• Exact Mass: 501.17
• IUPAC Name: N-(2,3-dimethylthieno[3,2-c]pyridin-4-yl)-2-fluoro-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
• SMILES: Cc1sc2ccnc(N(C(=O)c3ccc(-n4nnc5cccnc54)cc3F)[C@@H]3CCCNC3)c2c1C
• InChI: InChI=1S/C26H24FN7OS/c1-15-16(2)36-22-9-12-30-25(23(15)22)33(18-5-3-10-28-14-18)26(35)19-8-7-17(13-20(19)27)34-24-21(31-32-34)6-4-11-29-24/h4,6-9,11-13,18,28H,3,5,10,14H2,1-2H3/t18-/m1/s1
• InChIKey: IZHNVJHTJGINLO-GOSISDBHSA-N
• XLogP: 4.58
• TPSA: 88.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.59
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylthieno[3,2-c]pyridin-4-yl)-2-fluoro-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?

The IUPAC name of N-(2,3-dimethylthieno[3,2-c]pyridin-4-yl)-2-fluoro-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide (CID 172532902) is N-(2,3-dimethylthieno[3,2-c]pyridin-4-yl)-2-fluoro-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide.

What is the SMILES notation for N-(2,3-dimethylthieno[3,2-c]pyridin-4-yl)-2-fluoro-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?

The canonical SMILES for N-(2,3-dimethylthieno[3,2-c]pyridin-4-yl)-2-fluoro-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide is Cc1sc2ccnc(N(C(=O)c3ccc(-n4nnc5cccnc54)cc3F)[C@@H]3CCCNC3)c2c1C.

What is the InChIKey of N-(2,3-dimethylthieno[3,2-c]pyridin-4-yl)-2-fluoro-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?

The InChIKey is IZHNVJHTJGINLO-GOSISDBHSA-N. The full InChI is InChI=1S/C26H24FN7OS/c1-15-16(2)36-22-9-12-30-25(23(15)22)33(18-5-3-10-28-14-18)26(35)19-8-7-17(13-20(19)27)34-24-21(31-32-34)6-4-11-29-24/h4,6-9,11-13,18,28H,3,5,10,14H2,1-2H3/t18-/m1/s1.

What are the key properties of N-(2,3-dimethylthieno[3,2-c]pyridin-4-yl)-2-fluoro-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide?

N-(2,3-dimethylthieno[3,2-c]pyridin-4-yl)-2-fluoro-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide has a molecular weight of 501.59 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dimethylthieno[3,2-c]pyridin-4-yl)-2-fluoro-N-[(3R)-piperidin-3-yl]-4-(triazolo[4,5-b]pyridin-3-yl)benzamide is sourced from PubChem (CID 172532902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).