7-amino-N-[2-[3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,5-difluoro-7,8-dihydro-6H-quinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide

C23H27F2N7O2S — CID 172540157

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

7-amino-N-[2-[3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,5-difluoro-7,8-dihydro-6H-quinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 172540157) has the molecular formula C23H27F2N7O2S and a molecular weight of 503.58 g/mol. Its IUPAC name is 7-amino-N-[2-[3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,5-difluoro-7,8-dihydro-6H-quinolin-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]-5,5-difluoro-7,8-dihydro-6H-quinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
• PubChem CID: 172540157
• Molecular Formula: C23H27F2N7O2S
• Molecular Weight: 503.58 g/mol
• Exact Mass: 503.19
• IUPAC Name: 7-amino-N-[2-[3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,5-difluoro-7,8-dihydro-6H-quinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
• SMILES: COCC1CN(c2ccc3c(n2)CCC(NC(=O)c2sc4nc(C)cnc4c2N)C3(F)F)CC1N
• InChI: InChI=1S/C23H27F2N7O2S/c1-11-7-28-19-18(27)20(35-22(19)29-11)21(33)31-16-5-4-15-13(23(16,24)25)3-6-17(30-15)32-8-12(10-34-2)14(26)9-32/h3,6-7,12,14,16H,4-5,8-10,26-27H2,1-2H3,(H,31,33)
• InChIKey: GZIIEULAHOWWJG-UHFFFAOYSA-N
• XLogP: 2.22
• TPSA: 132.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.58
LogP ≤ 5	2.22
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]-5,5-difluoro-7,8-dihydro-6H-quinolin-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]-5,5-difluoro-7,8-dihydro-6H-quinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (CID 172540157) is 7-amino-N-[2-[3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,5-difluoro-7,8-dihydro-6H-quinolin-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]-5,5-difluoro-7,8-dihydro-6H-quinolin-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]-5,5-difluoro-7,8-dihydro-6H-quinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is COCC1CN(c2ccc3c(n2)CCC(NC(=O)c2sc4nc(C)cnc4c2N)C3(F)F)CC1N.

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

The InChIKey is GZIIEULAHOWWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N7O2S/c1-11-7-28-19-18(27)20(35-22(19)29-11)21(33)31-16-5-4-15-13(23(16,24)25)3-6-17(30-15)32-8-12(10-34-2)14(26)9-32/h3,6-7,12,14,16H,4-5,8-10,26-27H2,1-2H3,(H,31,33).

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

7-amino-N-[2-[3-amino-4-(methoxymethyl)pyrrolidin-1-yl]-5,5-difluoro-7,8-dihydro-6H-quinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 503.58 g/mol, XLogP of 2.22, 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]-5,5-difluoro-7,8-dihydro-6H-quinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 172540157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).