4-(difluoromethyl)-N-[3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]-2,4-difluoro-6-[(3S)-3-methylpiperazin-1-yl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide

C29H33F4N7O3 — CID 163541066

About 4-(difluoromethyl)-N-[3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]-2,4-difluoro-6-[(3S)-3-methylpiperazin-1-yl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide

4-(difluoromethyl)-N-[3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]-2,4-difluoro-6-[(3S)-3-methylpiperazin-1-yl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide (PubChem CID 163541066) has the molecular formula C29H33F4N7O3 and a molecular weight of 603.62 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-[3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]-2,4-difluoro-6-[(3S)-3-methylpiperazin-1-yl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-(difluoromethyl)-N-[3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]-2,4-difluoro-6-[(3S)-3-methylpiperazin-1-yl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide
• PubChem CID: 163541066
• Molecular Formula: C29H33F4N7O3
• Molecular Weight: 603.62 g/mol
• Exact Mass: 603.26
• IUPAC Name: 4-(difluoromethyl)-N-[3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]-2,4-difluoro-6-[(3S)-3-methylpiperazin-1-yl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide
• SMILES: C[C@@H]1CN(c2ncc(-c3c(F)cc(N4CCN[C@@H](C)C4)c(NC(=O)c4cn(C)c(=O)cc4C(F)F)c3F)cn2)C[C@@H](C)O1
• InChI: InChI=1S/C29H33F4N7O3/c1-15-11-39(6-5-34-15)22-8-21(30)24(18-9-35-29(36-10-18)40-12-16(2)43-17(3)13-40)25(31)26(22)37-28(42)20-14-38(4)23(41)7-19(20)27(32)33/h7-10,14-17,27,34H,5-6,11-13H2,1-4H3,(H,37,42)/t15-,16+,17+/m0/s1
• InChIKey: FBDDYQFNFCVXAY-GVDBMIGSSA-N
• XLogP: 3.72
• TPSA: 104.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	603.62
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N-[3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]-2,4-difluoro-6-[(3S)-3-methylpiperazin-1-yl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide?

The IUPAC name of 4-(difluoromethyl)-N-[3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]-2,4-difluoro-6-[(3S)-3-methylpiperazin-1-yl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide (CID 163541066) is 4-(difluoromethyl)-N-[3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]-2,4-difluoro-6-[(3S)-3-methylpiperazin-1-yl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide.

What is the SMILES notation for 4-(difluoromethyl)-N-[3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]-2,4-difluoro-6-[(3S)-3-methylpiperazin-1-yl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide?

The canonical SMILES for 4-(difluoromethyl)-N-[3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]-2,4-difluoro-6-[(3S)-3-methylpiperazin-1-yl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide is C[C@@H]1CN(c2ncc(-c3c(F)cc(N4CCN[C@@H](C)C4)c(NC(=O)c4cn(C)c(=O)cc4C(F)F)c3F)cn2)C[C@@H](C)O1.

What is the InChIKey of 4-(difluoromethyl)-N-[3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]-2,4-difluoro-6-[(3S)-3-methylpiperazin-1-yl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide?

The InChIKey is FBDDYQFNFCVXAY-GVDBMIGSSA-N. The full InChI is InChI=1S/C29H33F4N7O3/c1-15-11-39(6-5-34-15)22-8-21(30)24(18-9-35-29(36-10-18)40-12-16(2)43-17(3)13-40)25(31)26(22)37-28(42)20-14-38(4)23(41)7-19(20)27(32)33/h7-10,14-17,27,34H,5-6,11-13H2,1-4H3,(H,37,42)/t15-,16+,17+/m0/s1.

What are the key properties of 4-(difluoromethyl)-N-[3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]-2,4-difluoro-6-[(3S)-3-methylpiperazin-1-yl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide?

4-(difluoromethyl)-N-[3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]-2,4-difluoro-6-[(3S)-3-methylpiperazin-1-yl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 603.62 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(difluoromethyl)-N-[3-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-5-yl]-2,4-difluoro-6-[(3S)-3-methylpiperazin-1-yl]phenyl]-1-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 163541066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).