N-[3-[(2R)-1-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-yl]propan-2-yl]phenyl]-3-(trifluoromethyl)benzamide

C30H28F3N5O2 — CID 160917348

About N-[3-[(2R)-1-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-yl]propan-2-yl]phenyl]-3-(trifluoromethyl)benzamide

N-[3-[(2R)-1-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-yl]propan-2-yl]phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 160917348) has the molecular formula C30H28F3N5O2 and a molecular weight of 547.58 g/mol. Its IUPAC name is N-[3-[(2R)-1-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-yl]propan-2-yl]phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[3-[(2R)-1-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-yl]propan-2-yl]phenyl]-3-(trifluoromethyl)benzamide
• PubChem CID: 160917348
• Molecular Formula: C30H28F3N5O2
• Molecular Weight: 547.58 g/mol
• Exact Mass: 547.22
• IUPAC Name: N-[3-[(2R)-1-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-yl]propan-2-yl]phenyl]-3-(trifluoromethyl)benzamide
• SMILES: C[C@H](Cc1cncc(-c2ccc(N3CCOCC3)nc2)n1)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1
• InChI: InChI=1S/C30H28F3N5O2/c1-20(21-4-3-7-25(16-21)37-29(39)22-5-2-6-24(15-22)30(31,32)33)14-26-18-34-19-27(36-26)23-8-9-28(35-17-23)38-10-12-40-13-11-38/h2-9,15-20H,10-14H2,1H3,(H,37,39)/t20-/m1/s1
• InChIKey: SROPSTCENBOHIZ-HXUWFJFHSA-N
• XLogP: 5.99
• TPSA: 80.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	547.58
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-1-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-yl]propan-2-yl]phenyl]-3-(trifluoromethyl)benzamide?

The IUPAC name of N-[3-[(2R)-1-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-yl]propan-2-yl]phenyl]-3-(trifluoromethyl)benzamide (CID 160917348) is N-[3-[(2R)-1-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-yl]propan-2-yl]phenyl]-3-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[3-[(2R)-1-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-yl]propan-2-yl]phenyl]-3-(trifluoromethyl)benzamide?

The canonical SMILES for N-[3-[(2R)-1-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-yl]propan-2-yl]phenyl]-3-(trifluoromethyl)benzamide is C[C@H](Cc1cncc(-c2ccc(N3CCOCC3)nc2)n1)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1.

What is the InChIKey of N-[3-[(2R)-1-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-yl]propan-2-yl]phenyl]-3-(trifluoromethyl)benzamide?

The InChIKey is SROPSTCENBOHIZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C30H28F3N5O2/c1-20(21-4-3-7-25(16-21)37-29(39)22-5-2-6-24(15-22)30(31,32)33)14-26-18-34-19-27(36-26)23-8-9-28(35-17-23)38-10-12-40-13-11-38/h2-9,15-20H,10-14H2,1H3,(H,37,39)/t20-/m1/s1.

What are the key properties of N-[3-[(2R)-1-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-yl]propan-2-yl]phenyl]-3-(trifluoromethyl)benzamide?

N-[3-[(2R)-1-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-yl]propan-2-yl]phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 547.58 g/mol, XLogP of 5.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(2R)-1-[6-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-yl]propan-2-yl]phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 160917348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).