3-amino-6-methyl-N-[(6S)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl]thieno[2,3-b]pyridine-2-carboxamide

C22H25N5OS — CID 167224690

About 3-amino-6-methyl-N-[(6S)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-6-methyl-N-[(6S)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 167224690) has the molecular formula C22H25N5OS and a molecular weight of 407.54 g/mol. Its IUPAC name is 3-amino-6-methyl-N-[(6S)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-6-methyl-N-[(6S)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl]thieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 167224690
• Molecular Formula: C22H25N5OS
• Molecular Weight: 407.54 g/mol
• Exact Mass: 407.18
• IUPAC Name: 3-amino-6-methyl-N-[(6S)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl]thieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5CCCC5)ccc4C3)sc2n1
• InChI: InChI=1S/C22H25N5OS/c1-13-4-7-16-19(23)20(29-22(16)24-13)21(28)25-15-6-8-17-14(12-15)5-9-18(26-17)27-10-2-3-11-27/h4-5,7,9,15H,2-3,6,8,10-12,23H2,1H3,(H,25,28)/t15-/m0/s1
• InChIKey: LQIFNBHJHQMVJE-HNNXBMFYSA-N
• XLogP: 3.47
• TPSA: 84.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.54
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-N-[(6S)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl]thieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-6-methyl-N-[(6S)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 167224690) is 3-amino-6-methyl-N-[(6S)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl]thieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-6-methyl-N-[(6S)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl]thieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-6-methyl-N-[(6S)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl]thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4nc(N5CCCC5)ccc4C3)sc2n1.

What is the InChIKey of 3-amino-6-methyl-N-[(6S)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl]thieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is LQIFNBHJHQMVJE-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H25N5OS/c1-13-4-7-16-19(23)20(29-22(16)24-13)21(28)25-15-6-8-17-14(12-15)5-9-18(26-17)27-10-2-3-11-27/h4-5,7,9,15H,2-3,6,8,10-12,23H2,1H3,(H,25,28)/t15-/m0/s1.

What are the key properties of 3-amino-6-methyl-N-[(6S)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl]thieno[2,3-b]pyridine-2-carboxamide?

3-amino-6-methyl-N-[(6S)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 407.54 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-6-methyl-N-[(6S)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 167224690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).