5-amino-N-[2-(4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide

C25H30FN7O2S — CID 172539757

About 5-amino-N-[2-(4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide

5-amino-N-[2-(4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 172539757) has the molecular formula C25H30FN7O2S and a molecular weight of 511.63 g/mol. Its IUPAC name is 5-amino-N-[2-(4-amino-6-oxa-2-azaspiro[4.5]decan-2-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-(4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 172539757
• Molecular Formula: C25H30FN7O2S
• Molecular Weight: 511.63 g/mol
• Exact Mass: 511.22
• IUPAC Name: 5-amino-N-[2-(4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide
• SMILES: Cc1ncc2c(N)c(C(=O)NC3CCc4nc(N5CC(N)C6(CCCCO6)C5)c(F)cc4C3)sc2n1
• InChI: InChI=1S/C25H30FN7O2S/c1-13-29-10-16-20(28)21(36-24(16)30-13)23(34)31-15-4-5-18-14(8-15)9-17(26)22(32-18)33-11-19(27)25(12-33)6-2-3-7-35-25/h9-10,15,19H,2-8,11-12,27-28H2,1H3,(H,31,34)
• InChIKey: IMMSVSOACAYIRF-UHFFFAOYSA-N
• XLogP: 2.49
• TPSA: 132.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.63
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(4-amino-6-oxa-2-azaspiro[4.5]decan-2-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-(4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 172539757) is 5-amino-N-[2-(4-amino-6-oxa-2-azaspiro[4.5]decan-2-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-(4-amino-6-oxa-2-azaspiro[4.5]decan-2-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-(4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1ncc2c(N)c(C(=O)NC3CCc4nc(N5CC(N)C6(CCCCO6)C5)c(F)cc4C3)sc2n1.

What is the InChIKey of 5-amino-N-[2-(4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is IMMSVSOACAYIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN7O2S/c1-13-29-10-16-20(28)21(36-24(16)30-13)23(34)31-15-4-5-18-14(8-15)9-17(26)22(32-18)33-11-19(27)25(12-33)6-2-3-7-35-25/h9-10,15,19H,2-8,11-12,27-28H2,1H3,(H,31,34).

What are the key properties of 5-amino-N-[2-(4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide?

5-amino-N-[2-(4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 511.63 g/mol, XLogP of 2.49, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-N-[2-(4-amino-6-oxa-2-azaspiro[4.5]decan-2-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 172539757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).