2-(5-fluoro-3-pyridinyl)-N-[(3S)-7-methoxy-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine

C27H27FN6O — CID 164952361

About 2-(5-fluoro-3-pyridinyl)-N-[(3S)-7-methoxy-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine

2-(5-fluoro-3-pyridinyl)-N-[(3S)-7-methoxy-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (PubChem CID 164952361) has the molecular formula C27H27FN6O and a molecular weight of 470.55 g/mol. Its IUPAC name is 2-(5-fluoro-3-pyridinyl)-N-[(3S)-7-methoxy-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

Molecular Properties

• Compound Name: 2-(5-fluoro-3-pyridinyl)-N-[(3S)-7-methoxy-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
• PubChem CID: 164952361
• Molecular Formula: C27H27FN6O
• Molecular Weight: 470.55 g/mol
• Exact Mass: 470.22
• IUPAC Name: 2-(5-fluoro-3-pyridinyl)-N-[(3S)-7-methoxy-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine
• SMILES: COc1ccc2c(c1)CC1=C2C[C@@H](Nc2nc(-c3cncc(F)c3)nc3c(C(C)C)cnn23)CC1
• InChI: InChI=1S/C27H27FN6O/c1-15(2)24-14-30-34-26(24)32-25(18-9-19(28)13-29-12-18)33-27(34)31-20-5-4-16-8-17-10-21(35-3)6-7-22(17)23(16)11-20/h6-7,9-10,12-15,20H,4-5,8,11H2,1-3H3,(H,31,32,33)/t20-/m0/s1
• InChIKey: YJVOPYBTYQTOKA-FQEVSTJZSA-N
• XLogP: 5.43
• TPSA: 77.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.55
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-pyridinyl)-N-[(3S)-7-methoxy-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?

The IUPAC name of 2-(5-fluoro-3-pyridinyl)-N-[(3S)-7-methoxy-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine (CID 164952361) is 2-(5-fluoro-3-pyridinyl)-N-[(3S)-7-methoxy-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine.

What is the SMILES notation for 2-(5-fluoro-3-pyridinyl)-N-[(3S)-7-methoxy-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?

The canonical SMILES for 2-(5-fluoro-3-pyridinyl)-N-[(3S)-7-methoxy-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is COc1ccc2c(c1)CC1=C2C[C@@H](Nc2nc(-c3cncc(F)c3)nc3c(C(C)C)cnn23)CC1.

What is the InChIKey of 2-(5-fluoro-3-pyridinyl)-N-[(3S)-7-methoxy-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?

The InChIKey is YJVOPYBTYQTOKA-FQEVSTJZSA-N. The full InChI is InChI=1S/C27H27FN6O/c1-15(2)24-14-30-34-26(24)32-25(18-9-19(28)13-29-12-18)33-27(34)31-20-5-4-16-8-17-10-21(35-3)6-7-22(17)23(16)11-20/h6-7,9-10,12-15,20H,4-5,8,11H2,1-3H3,(H,31,32,33)/t20-/m0/s1.

What are the key properties of 2-(5-fluoro-3-pyridinyl)-N-[(3S)-7-methoxy-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine?

2-(5-fluoro-3-pyridinyl)-N-[(3S)-7-methoxy-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine has a molecular weight of 470.55 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-fluoro-3-pyridinyl)-N-[(3S)-7-methoxy-2,3,4,9-tetrahydro-1H-fluoren-3-yl]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-amine is sourced from PubChem (CID 164952361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).