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

C24H29F2N7O2S — CID 172540129

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

7-amino-N-[5,5-difluoro-2-[3-(methoxymethyl)-4-(methylamino)pyrrolidin-1-yl]-7,8-dihydro-6H-quinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 172540129) has the molecular formula C24H29F2N7O2S and a molecular weight of 517.61 g/mol. Its IUPAC name is 7-amino-N-[5,5-difluoro-2-[3-(methoxymethyl)-4-(methylamino)pyrrolidin-1-yl]-7,8-dihydro-6H-quinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: 7-amino-N-[5,5-difluoro-2-[3-(methoxymethyl)-4-(methylamino)pyrrolidin-1-yl]-7,8-dihydro-6H-quinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
• PubChem CID: 172540129
• Molecular Formula: C24H29F2N7O2S
• Molecular Weight: 517.61 g/mol
• Exact Mass: 517.21
• IUPAC Name: 7-amino-N-[5,5-difluoro-2-[3-(methoxymethyl)-4-(methylamino)pyrrolidin-1-yl]-7,8-dihydro-6H-quinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
• SMILES: CNC1CN(c2ccc3c(n2)CCC(NC(=O)c2sc4nc(C)cnc4c2N)C3(F)F)CC1COC
• InChI: InChI=1S/C24H29F2N7O2S/c1-12-8-29-20-19(27)21(36-23(20)30-12)22(34)32-17-6-5-15-14(24(17,25)26)4-7-18(31-15)33-9-13(11-35-3)16(10-33)28-2/h4,7-8,13,16-17,28H,5-6,9-11,27H2,1-3H3,(H,32,34)
• InChIKey: ZUTNRKJXESWERJ-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 118.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.61
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 7-amino-N-[5,5-difluoro-2-[3-(methoxymethyl)-4-(methylamino)pyrrolidin-1-yl]-7,8-dihydro-6H-quinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (CID 172540129) is 7-amino-N-[5,5-difluoro-2-[3-(methoxymethyl)-4-(methylamino)pyrrolidin-1-yl]-7,8-dihydro-6H-quinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.

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

The canonical SMILES for 7-amino-N-[5,5-difluoro-2-[3-(methoxymethyl)-4-(methylamino)pyrrolidin-1-yl]-7,8-dihydro-6H-quinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is CNC1CN(c2ccc3c(n2)CCC(NC(=O)c2sc4nc(C)cnc4c2N)C3(F)F)CC1COC.

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

The InChIKey is ZUTNRKJXESWERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N7O2S/c1-12-8-29-20-19(27)21(36-23(20)30-12)22(34)32-17-6-5-15-14(24(17,25)26)4-7-18(31-15)33-9-13(11-35-3)16(10-33)28-2/h4,7-8,13,16-17,28H,5-6,9-11,27H2,1-3H3,(H,32,34).

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

7-amino-N-[5,5-difluoro-2-[3-(methoxymethyl)-4-(methylamino)pyrrolidin-1-yl]-7,8-dihydro-6H-quinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 517.61 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-amino-N-[5,5-difluoro-2-[3-(methoxymethyl)-4-(methylamino)pyrrolidin-1-yl]-7,8-dihydro-6H-quinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 172540129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).