7-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide

C25H32FN7O3S — CID 172539836

About 7-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide

7-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 172539836) has the molecular formula C25H32FN7O3S and a molecular weight of 529.64 g/mol. Its IUPAC name is 7-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: 7-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
• PubChem CID: 172539836
• Molecular Formula: C25H32FN7O3S
• Molecular Weight: 529.64 g/mol
• Exact Mass: 529.23
• IUPAC Name: 7-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
• SMILES: COC(C)COC1CN(c2nc3c(cc2F)CC(NC(=O)c2sc4nc(C)cnc4c2N)CC3)CC1N
• InChI: InChI=1S/C25H32FN7O3S/c1-12-8-29-21-20(28)22(37-25(21)30-12)24(34)31-15-4-5-18-14(6-15)7-16(26)23(32-18)33-9-17(27)19(10-33)36-11-13(2)35-3/h7-8,13,15,17,19H,4-6,9-11,27-28H2,1-3H3,(H,31,34)
• InChIKey: JPPASYKOWZGXHH-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 141.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.64
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?

The IUPAC name of 7-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (CID 172539836) is 7-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.

What is the SMILES notation for 7-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?

The canonical SMILES for 7-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is COC(C)COC1CN(c2nc3c(cc2F)CC(NC(=O)c2sc4nc(C)cnc4c2N)CC3)CC1N.

What is the InChIKey of 7-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?

The InChIKey is JPPASYKOWZGXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN7O3S/c1-12-8-29-21-20(28)22(37-25(21)30-12)24(34)31-15-4-5-18-14(6-15)7-16(26)23(32-18)33-9-17(27)19(10-33)36-11-13(2)35-3/h7-8,13,15,17,19H,4-6,9-11,27-28H2,1-3H3,(H,31,34).

What are the key properties of 7-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?

7-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 529.64 g/mol, XLogP of 1.97, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-N-[2-[3-amino-4-(2-methoxypropoxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 172539836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).