3-amino-N-[7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C24H26F2N6O2S — CID 142528414

About 3-amino-N-[7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 142528414) has the molecular formula C24H26F2N6O2S and a molecular weight of 500.58 g/mol. Its IUPAC name is 3-amino-N-[7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-[7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 142528414
• Molecular Formula: C24H26F2N6O2S
• Molecular Weight: 500.58 g/mol
• Exact Mass: 500.18
• IUPAC Name: 3-amino-N-[7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: Cc1ccc2c(N)c(C(=O)NC3COc4nc(N5CC6CNCC(C5)C6(F)F)ccc4C3)sc2n1
• InChI: InChI=1S/C24H26F2N6O2S/c1-12-2-4-17-19(27)20(35-23(17)29-12)21(33)30-16-6-13-3-5-18(31-22(13)34-11-16)32-9-14-7-28-8-15(10-32)24(14,25)26/h2-5,14-16,28H,6-11,27H2,1H3,(H,30,33)
• InChIKey: IJEAGEJNRJNWBF-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 105.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.58
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of 3-amino-N-[7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 142528414) is 3-amino-N-[7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for 3-amino-N-[7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for 3-amino-N-[7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)NC3COc4nc(N5CC6CNCC(C5)C6(F)F)ccc4C3)sc2n1.

What is the InChIKey of 3-amino-N-[7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is IJEAGEJNRJNWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N6O2S/c1-12-2-4-17-19(27)20(35-23(17)29-12)21(33)30-16-6-13-3-5-18(31-22(13)34-11-16)32-9-14-7-28-8-15(10-32)24(14,25)26/h2-5,14-16,28H,6-11,27H2,1H3,(H,30,33).

What are the key properties of 3-amino-N-[7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?

3-amino-N-[7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 500.58 g/mol, XLogP of 2.61, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[7-(9,9-difluoro-3,7-diazabicyclo[3.3.1]nonan-3-yl)-3,4-dihydro-2H-pyrano[2,3-b]pyridin-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 142528414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).