5-amino-N-[2-[4-amino-3-(difluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

C24H29F2N7OS — CID 172540353

About 5-amino-N-[2-[4-amino-3-(difluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide

5-amino-N-[2-[4-amino-3-(difluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 172540353) has the molecular formula C24H29F2N7OS and a molecular weight of 501.61 g/mol. Its IUPAC name is 5-amino-N-[2-[4-amino-3-(difluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 5-amino-N-[2-[4-amino-3-(difluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 172540353
• Molecular Formula: C24H29F2N7OS
• Molecular Weight: 501.61 g/mol
• Exact Mass: 501.21
• IUPAC Name: 5-amino-N-[2-[4-amino-3-(difluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide
• SMILES: Cc1nc(C)c2c(N)c(C(=O)NC3CCc4nc(N5CC(N)C(C)(C(F)F)C5)ccc4C3)sc2n1
• InChI: InChI=1S/C24H29F2N7OS/c1-11-18-19(28)20(35-22(18)30-12(2)29-11)21(34)31-14-5-6-15-13(8-14)4-7-17(32-15)33-9-16(27)24(3,10-33)23(25)26/h4,7,14,16,23H,5-6,8-10,27-28H2,1-3H3,(H,31,34)
• InChIKey: OWYAOXGGYYCZBZ-UHFFFAOYSA-N
• XLogP: 2.99
• TPSA: 123.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.61
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-[4-amino-3-(difluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 5-amino-N-[2-[4-amino-3-(difluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide (CID 172540353) is 5-amino-N-[2-[4-amino-3-(difluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 5-amino-N-[2-[4-amino-3-(difluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 5-amino-N-[2-[4-amino-3-(difluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1nc(C)c2c(N)c(C(=O)NC3CCc4nc(N5CC(N)C(C)(C(F)F)C5)ccc4C3)sc2n1.

What is the InChIKey of 5-amino-N-[2-[4-amino-3-(difluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is OWYAOXGGYYCZBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N7OS/c1-11-18-19(28)20(35-22(18)30-12(2)29-11)21(34)31-14-5-6-15-13(8-14)4-7-17(32-15)33-9-16(27)24(3,10-33)23(25)26/h4,7,14,16,23H,5-6,8-10,27-28H2,1-3H3,(H,31,34).

What are the key properties of 5-amino-N-[2-[4-amino-3-(difluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide?

5-amino-N-[2-[4-amino-3-(difluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 501.61 g/mol, XLogP of 2.99, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[2-[4-amino-3-(difluoromethyl)-3-methylpyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-2,4-dimethylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 172540353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).