N-[[4-(difluoromethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide

C23H21F2N7O2 — CID 122487520

About N-[[4-(difluoromethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide

N-[[4-(difluoromethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide (PubChem CID 122487520) has the molecular formula C23H21F2N7O2 and a molecular weight of 465.46 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(difluoromethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
• PubChem CID: 122487520
• Molecular Formula: C23H21F2N7O2
• Molecular Weight: 465.46 g/mol
• Exact Mass: 465.17
• IUPAC Name: N-[[4-(difluoromethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide
• SMILES: Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(OC(F)F)cc3)nc2)n1
• InChI: InChI=1S/C23H21F2N7O2/c1-13-9-19(29-20-10-14(2)31-32-20)30-21(28-13)16-5-8-18(26-12-16)22(33)27-11-15-3-6-17(7-4-15)34-23(24)25/h3-10,12,23H,11H2,1-2H3,(H,27,33)(H2,28,29,30,31,32)
• InChIKey: KLPFNKVLTALZMI-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 117.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.46
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?

The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide (CID 122487520) is N-[[4-(difluoromethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?

The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide is Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(OC(F)F)cc3)nc2)n1.

What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?

The InChIKey is KLPFNKVLTALZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F2N7O2/c1-13-9-19(29-20-10-14(2)31-32-20)30-21(28-13)16-5-8-18(26-12-16)22(33)27-11-15-3-6-17(7-4-15)34-23(24)25/h3-10,12,23H,11H2,1-2H3,(H,27,33)(H2,28,29,30,31,32).

What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide?

N-[[4-(difluoromethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide has a molecular weight of 465.46 g/mol, XLogP of 4.15, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(difluoromethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 122487520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).