5-amino-N-[2-[3-amino-4-(1-methoxypropan-2-yloxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide

C25H32FN7O3S — CID 172540015

About 5-amino-N-[2-[3-amino-4-(1-methoxypropan-2-yloxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide

5-amino-N-[2-[3-amino-4-(1-methoxypropan-2-yloxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 172540015) has the molecular formula C25H32FN7O3S and a molecular weight of 529.64 g/mol. Its IUPAC name is 5-amino-N-[2-[3-amino-4-(1-methoxypropan-2-yloxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 5-amino-N-[2-[3-amino-4-(1-methoxypropan-2-yloxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 172540015
• Molecular Formula: C25H32FN7O3S
• Molecular Weight: 529.64 g/mol
• Exact Mass: 529.23
• IUPAC Name: 5-amino-N-[2-[3-amino-4-(1-methoxypropan-2-yloxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide
• SMILES: COCC(C)OC1CN(c2nc3c(cc2F)CC(NC(=O)c2sc4nc(C)ncc4c2N)CC3)CC1N
• InChI: InChI=1S/C25H32FN7O3S/c1-12(11-35-3)36-20-10-33(9-18(20)27)23-17(26)7-14-6-15(4-5-19(14)32-23)31-24(34)22-21(28)16-8-29-13(2)30-25(16)37-22/h7-8,12,15,18,20H,4-6,9-11,27-28H2,1-3H3,(H,31,34)
• InChIKey: NQGRHGYAQZTVFD-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 5-amino-N-[2-[3-amino-4-(1-methoxypropan-2-yloxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 5-amino-N-[2-[3-amino-4-(1-methoxypropan-2-yloxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 172540015) is 5-amino-N-[2-[3-amino-4-(1-methoxypropan-2-yloxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide.

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

The canonical SMILES for 5-amino-N-[2-[3-amino-4-(1-methoxypropan-2-yloxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide is COCC(C)OC1CN(c2nc3c(cc2F)CC(NC(=O)c2sc4nc(C)ncc4c2N)CC3)CC1N.

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

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

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

5-amino-N-[2-[3-amino-4-(1-methoxypropan-2-yloxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-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 5-amino-N-[2-[3-amino-4-(1-methoxypropan-2-yloxy)pyrrolidin-1-yl]-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 172540015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).