3-amino-N-(3-cyclopropyl-4-fluoro-2-pyridinyl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide

C28H21FN6O — CID 154658269

About 3-amino-N-(3-cyclopropyl-4-fluoro-2-pyridinyl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide

3-amino-N-(3-cyclopropyl-4-fluoro-2-pyridinyl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide (PubChem CID 154658269) has the molecular formula C28H21FN6O and a molecular weight of 476.52 g/mol. Its IUPAC name is 3-amino-N-(3-cyclopropyl-4-fluoro-2-pyridinyl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 3-amino-N-(3-cyclopropyl-4-fluoro-2-pyridinyl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
• PubChem CID: 154658269
• Molecular Formula: C28H21FN6O
• Molecular Weight: 476.52 g/mol
• Exact Mass: 476.18
• IUPAC Name: 3-amino-N-(3-cyclopropyl-4-fluoro-2-pyridinyl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
• SMILES: Nc1nc(-c2ccccc2)c(-c2ccc3ncccc3c2)nc1C(=O)Nc1nccc(F)c1C1CC1
• InChI: InChI=1S/C28H21FN6O/c29-20-12-14-32-27(22(20)16-8-9-16)35-28(36)25-26(30)34-23(17-5-2-1-3-6-17)24(33-25)19-10-11-21-18(15-19)7-4-13-31-21/h1-7,10-16H,8-9H2,(H2,30,34)(H,32,35,36)
• InChIKey: FDRYMKYFEFUPHM-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 106.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.52
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-cyclopropyl-4-fluoro-2-pyridinyl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?

The IUPAC name of 3-amino-N-(3-cyclopropyl-4-fluoro-2-pyridinyl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide (CID 154658269) is 3-amino-N-(3-cyclopropyl-4-fluoro-2-pyridinyl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide.

What is the SMILES notation for 3-amino-N-(3-cyclopropyl-4-fluoro-2-pyridinyl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?

The canonical SMILES for 3-amino-N-(3-cyclopropyl-4-fluoro-2-pyridinyl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide is Nc1nc(-c2ccccc2)c(-c2ccc3ncccc3c2)nc1C(=O)Nc1nccc(F)c1C1CC1.

What is the InChIKey of 3-amino-N-(3-cyclopropyl-4-fluoro-2-pyridinyl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?

The InChIKey is FDRYMKYFEFUPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21FN6O/c29-20-12-14-32-27(22(20)16-8-9-16)35-28(36)25-26(30)34-23(17-5-2-1-3-6-17)24(33-25)19-10-11-21-18(15-19)7-4-13-31-21/h1-7,10-16H,8-9H2,(H2,30,34)(H,32,35,36).

What are the key properties of 3-amino-N-(3-cyclopropyl-4-fluoro-2-pyridinyl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide?

3-amino-N-(3-cyclopropyl-4-fluoro-2-pyridinyl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide has a molecular weight of 476.52 g/mol, XLogP of 5.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-(3-cyclopropyl-4-fluoro-2-pyridinyl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide is sourced from PubChem (CID 154658269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).