N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide

C27H21F3N6O2 — CID 168930169

About N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide

N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide (PubChem CID 168930169) has the molecular formula C27H21F3N6O2 and a molecular weight of 518.50 g/mol. Its IUPAC name is N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide
• PubChem CID: 168930169
• Molecular Formula: C27H21F3N6O2
• Molecular Weight: 518.50 g/mol
• Exact Mass: 518.17
• IUPAC Name: N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide
• SMILES: Cc1cc(F)c(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cncc(-c2ccnc(NC(=O)C3CC3)c2)n1
• InChI: InChI=1S/C27H21F3N6O2/c1-14-8-19(28)20(35-27(38)17-5-6-32-21(9-17)25(29)30)11-18(14)23-13-31-12-22(34-23)16-4-7-33-24(10-16)36-26(37)15-2-3-15/h4-13,15,25H,2-3H2,1H3,(H,35,38)(H,33,36,37)
• InChIKey: XWOFHKVNBLFYGJ-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 109.76 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.50
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide?

The IUPAC name of N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide (CID 168930169) is N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide.

What is the SMILES notation for N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide?

The canonical SMILES for N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide is Cc1cc(F)c(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cncc(-c2ccnc(NC(=O)C3CC3)c2)n1.

What is the InChIKey of N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide?

The InChIKey is XWOFHKVNBLFYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F3N6O2/c1-14-8-19(28)20(35-27(38)17-5-6-32-21(9-17)25(29)30)11-18(14)23-13-31-12-22(34-23)16-4-7-33-24(10-16)36-26(37)15-2-3-15/h4-13,15,25H,2-3H2,1H3,(H,35,38)(H,33,36,37).

What are the key properties of N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide?

N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide has a molecular weight of 518.50 g/mol, XLogP of 5.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[6-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrazin-2-yl]-2-fluoro-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 168930169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).