3-[4-(1,1-difluoroethoxy)phenyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;N-[[6-(4-ethynylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide

C130H123F2N43O6 — CID 157473086

About 3-[4-(1,1-difluoroethoxy)phenyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;N-[[6-(4-ethynylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide

3-[4-(1,1-difluoroethoxy)phenyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;N-[[6-(4-ethynylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide (PubChem CID 157473086) has the molecular formula C130H123F2N43O6 and a molecular weight of 2421.70 g/mol. Its IUPAC name is 3-[4-(1,1-difluoroethoxy)phenyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;N-[[6-(4-ethynylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-[4-(1,1-difluoroethoxy)phenyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;N-[[6-(4-ethynylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide
• PubChem CID: 157473086
• Molecular Formula: C130H123F2N43O6
• Molecular Weight: 2421.70 g/mol
• Exact Mass: 2420.06
• IUPAC Name: 3-[4-(1,1-difluoroethoxy)phenyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;N-[[6-(4-ethynylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide
• SMILES: C#Cc1cnn(-c2ccc(CNC(=O)c3ccc(-c4nc(C)cc(Cc5cc(C)[nH]n5)n4)cn3)cn2)c1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2cnc(C(=O)NCc3ccc(-n4cccn4)nc3)c(C)c2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)CCc3ccc(OC(C)(F)F)cc3)nc2)n1.Cc1cnn(-c2ccc(CNC(=O)c3ncc(-c4nc(C)cc(Cc5cc(C)[nH]n5)n4)cc3C)cn2)c1.Cc1cnn(-c2cnc(CNC(=O)c3ccc(-c4nc(C)cc(Cc5cc(C)[nH]n5)n4)cn3)cn2)c1
• InChI: InChI=1S/C27H27N9O.C27H23N9O.C26H25N9O.C25H24F2N6O2.C25H24N10O/c1-16-11-31-36(15-16)24-6-5-20(12-28-24)13-30-27(37)25-17(2)7-21(14-29-25)26-32-18(3)8-22(33-26)10-23-9-19(4)34-35-23;1-4-19-14-31-36(16-19)25-8-5-20(12-29-25)13-30-27(37)24-7-6-21(15-28-24)26-32-17(2)9-22(33-26)11-23-10-18(3)34-35-23;1-16-9-20(25-31-17(2)10-21(32-25)12-22-11-18(3)33-34-22)15-28-24(16)26(36)29-14-19-5-6-23(27-13-19)35-8-4-7-30-35;1-15-12-22(30-23-13-16(2)32-33-23)31-24(29-15)18-7-10-20(28-14-18)21(34)11-6-17-4-8-19(9-5-17)35-25(3,26)27;1-15-9-30-35(14-15)23-13-26-21(11-28-23)12-29-25(36)22-5-4-18(10-27-22)24-31-16(2)6-19(32-24)8-20-7-17(3)33-34-20/h5-9,11-12,14-15H,10,13H2,1-4H3,(H,30,37)(H,34,35);1,5-10,12,14-16H,11,13H2,2-3H3,(H,30,37)(H,34,35);4-11,13,15H,12,14H2,1-3H3,(H,29,36)(H,33,34);4-5,7-10,12-14H,6,11H2,1-3H3,(H2,29,30,31,32,33);4-7,9-11,13-14H,8,12H2,1-3H3,(H,29,36)(H,33,34)
• InChIKey: BVGQZPLYBOIZTN-UHFFFAOYSA-N
• XLogP: 17.96
• TPSA: 627.21 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 40
• Rotatable Bonds: 37
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2421.70
LogP ≤ 5	17.96
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,1-difluoroethoxy)phenyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;N-[[6-(4-ethynylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide?

The IUPAC name of 3-[4-(1,1-difluoroethoxy)phenyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;N-[[6-(4-ethynylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide (CID 157473086) is 3-[4-(1,1-difluoroethoxy)phenyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;N-[[6-(4-ethynylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide.

What is the SMILES notation for 3-[4-(1,1-difluoroethoxy)phenyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;N-[[6-(4-ethynylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide?

The canonical SMILES for 3-[4-(1,1-difluoroethoxy)phenyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;N-[[6-(4-ethynylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide is C#Cc1cnn(-c2ccc(CNC(=O)c3ccc(-c4nc(C)cc(Cc5cc(C)[nH]n5)n4)cn3)cn2)c1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2cnc(C(=O)NCc3ccc(-n4cccn4)nc3)c(C)c2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)CCc3ccc(OC(C)(F)F)cc3)nc2)n1.Cc1cnn(-c2ccc(CNC(=O)c3ncc(-c4nc(C)cc(Cc5cc(C)[nH]n5)n4)cc3C)cn2)c1.Cc1cnn(-c2cnc(CNC(=O)c3ccc(-c4nc(C)cc(Cc5cc(C)[nH]n5)n4)cn3)cn2)c1.

What is the InChIKey of 3-[4-(1,1-difluoroethoxy)phenyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;N-[[6-(4-ethynylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide?

The InChIKey is BVGQZPLYBOIZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N9O.C27H23N9O.C26H25N9O.C25H24F2N6O2.C25H24N10O/c1-16-11-31-36(15-16)24-6-5-20(12-28-24)13-30-27(37)25-17(2)7-21(14-29-25)26-32-18(3)8-22(33-26)10-23-9-19(4)34-35-23;1-4-19-14-31-36(16-19)25-8-5-20(12-29-25)13-30-27(37)24-7-6-21(15-28-24)26-32-17(2)9-22(33-26)11-23-10-18(3)34-35-23;1-16-9-20(25-31-17(2)10-21(32-25)12-22-11-18(3)33-34-22)15-28-24(16)26(36)29-14-19-5-6-23(27-13-19)35-8-4-7-30-35;1-15-12-22(30-23-13-16(2)32-33-23)31-24(29-15)18-7-10-20(28-14-18)21(34)11-6-17-4-8-19(9-5-17)35-25(3,26)27;1-15-9-30-35(14-15)23-13-26-21(11-28-23)12-29-25(36)22-5-4-18(10-27-22)24-31-16(2)6-19(32-24)8-20-7-17(3)33-34-20/h5-9,11-12,14-15H,10,13H2,1-4H3,(H,30,37)(H,34,35);1,5-10,12,14-16H,11,13H2,2-3H3,(H,30,37)(H,34,35);4-11,13,15H,12,14H2,1-3H3,(H,29,36)(H,33,34);4-5,7-10,12-14H,6,11H2,1-3H3,(H2,29,30,31,32,33);4-7,9-11,13-14H,8,12H2,1-3H3,(H,29,36)(H,33,34).

What are the key properties of 3-[4-(1,1-difluoroethoxy)phenyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;N-[[6-(4-ethynylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide?

3-[4-(1,1-difluoroethoxy)phenyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;N-[[6-(4-ethynylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide has a molecular weight of 2421.70 g/mol, XLogP of 17.96, 37 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(1,1-difluoroethoxy)phenyl]-1-[5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-2-pyridinyl]propan-1-one;N-[[6-(4-ethynylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-methylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 157473086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).