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

C23H28FN7O2S — CID 172540361

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

7-amino-N-[2-[3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 172540361) has the molecular formula C23H28FN7O2S and a molecular weight of 485.59 g/mol. Its IUPAC name is 7-amino-N-[2-[3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-4-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-(methoxymethyl)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
• PubChem CID: 172540361
• Molecular Formula: C23H28FN7O2S
• Molecular Weight: 485.59 g/mol
• Exact Mass: 485.20
• IUPAC Name: 7-amino-N-[2-[3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
• SMILES: COCC1CN(c2cc(F)c3c(n2)CCC(NC(=O)c2sc4nc(C)cnc4c2N)C3)CC1N
• InChI: InChI=1S/C23H28FN7O2S/c1-11-7-27-20-19(26)21(34-23(20)28-11)22(32)29-13-3-4-17-14(5-13)15(24)6-18(30-17)31-8-12(10-33-2)16(25)9-31/h6-7,12-13,16H,3-5,8-10,25-26H2,1-2H3,(H,29,32)
• InChIKey: VILMZRTTYZVMCQ-UHFFFAOYSA-N
• XLogP: 1.81
• TPSA: 132.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.59
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-[3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-4-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-(methoxymethyl)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (CID 172540361) is 7-amino-N-[2-[3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-4-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-(methoxymethyl)pyrrolidin-1-yl]-4-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-(methoxymethyl)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is COCC1CN(c2cc(F)c3c(n2)CCC(NC(=O)c2sc4nc(C)cnc4c2N)C3)CC1N.

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

The InChIKey is VILMZRTTYZVMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN7O2S/c1-11-7-27-20-19(26)21(34-23(20)28-11)22(32)29-13-3-4-17-14(5-13)15(24)6-18(30-17)31-8-12(10-33-2)16(25)9-31/h6-7,12-13,16H,3-5,8-10,25-26H2,1-2H3,(H,29,32).

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

7-amino-N-[2-[3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 485.59 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-N-[2-[3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 172540361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).