N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(4-methylpyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-[difluoro(pyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-[(5-fluoropyrimidin-2-yl)methyl]azetidine-1-carboxamide

C96H94F6N30O5S2 — CID 158632363

About N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(4-methylpyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-[difluoro(pyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-[(5-fluoropyrimidin-2-yl)methyl]azetidine-1-carboxamide

N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(4-methylpyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-[difluoro(pyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-[(5-fluoropyrimidin-2-yl)methyl]azetidine-1-carboxamide (PubChem CID 158632363) has the molecular formula C96H94F6N30O5S2 and a molecular weight of 1926.13 g/mol. Its IUPAC name is N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(4-methylpyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-[difluoro(pyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-[(5-fluoropyrimidin-2-yl)methyl]azetidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(4-methylpyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-[difluoro(pyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-[(5-fluoropyrimidin-2-yl)methyl]azetidine-1-carboxamide
• PubChem CID: 158632363
• Molecular Formula: C96H94F6N30O5S2
• Molecular Weight: 1926.13 g/mol
• Exact Mass: 1924.74
• IUPAC Name: N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(4-methylpyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-[difluoro(pyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-[(5-fluoropyrimidin-2-yl)methyl]azetidine-1-carboxamide
• SMILES: Cc1ccnc(CC2CN(C(=O)Nc3nc(-c4ccc(F)cc4)ccc3N)C2)n1.Cn1ccnc1CC1CN(C(=O)Nc2nc(-c3ccc(F)cc3)ccc2N)C1.Nc1ccc(-c2ccc(F)cc2)nc1NC(=O)N1CC(Cn2cccn2)C1.Nc1ccc(-c2cccs2)nc1NC(=O)N1CC(C(F)(F)c2ncccn2)C1.Nc1ccc(-c2cccs2)nc1NC(=O)N1CC(Cc2ncc(F)cn2)C1
• InChI: InChI=1S/C21H21FN6O.C20H21FN6O.C19H19FN6O.C18H16F2N6OS.C18H17FN6OS/c1-13-8-9-24-19(25-13)10-14-11-28(12-14)21(29)27-20-17(23)6-7-18(26-20)15-2-4-16(22)5-3-15;1-26-9-8-23-18(26)10-13-11-27(12-13)20(28)25-19-16(22)6-7-17(24-19)14-2-4-15(21)5-3-14;20-15-4-2-14(3-5-15)17-7-6-16(21)18(23-17)24-19(27)25-10-13(11-25)12-26-9-1-8-22-26;19-18(20,16-22-6-2-7-23-16)11-9-26(10-11)17(27)25-15-12(21)4-5-13(24-15)14-3-1-8-28-14;19-12-7-21-16(22-8-12)6-11-9-25(10-11)18(26)24-17-13(20)3-4-14(23-17)15-2-1-5-27-15/h2-9,14H,10-12,23H2,1H3,(H,26,27,29);2-9,13H,10-12,22H2,1H3,(H,24,25,28);1-9,13H,10-12,21H2,(H,23,24,27);1-8,11H,9-10,21H2,(H,24,25,27);1-5,7-8,11H,6,9-10,20H2,(H,23,24,26)
• InChIKey: HZIVKPOJLIQEKN-UHFFFAOYSA-N
• XLogP: 15.48
• TPSA: 469.23 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1926.13
LogP ≤ 5	15.48
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(4-methylpyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-[difluoro(pyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-[(5-fluoropyrimidin-2-yl)methyl]azetidine-1-carboxamide?

The IUPAC name of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(4-methylpyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-[difluoro(pyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-[(5-fluoropyrimidin-2-yl)methyl]azetidine-1-carboxamide (CID 158632363) is N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(4-methylpyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-[difluoro(pyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-[(5-fluoropyrimidin-2-yl)methyl]azetidine-1-carboxamide.

What is the SMILES notation for N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(4-methylpyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-[difluoro(pyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-[(5-fluoropyrimidin-2-yl)methyl]azetidine-1-carboxamide?

The canonical SMILES for N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(4-methylpyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-[difluoro(pyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-[(5-fluoropyrimidin-2-yl)methyl]azetidine-1-carboxamide is Cc1ccnc(CC2CN(C(=O)Nc3nc(-c4ccc(F)cc4)ccc3N)C2)n1.Cn1ccnc1CC1CN(C(=O)Nc2nc(-c3ccc(F)cc3)ccc2N)C1.Nc1ccc(-c2ccc(F)cc2)nc1NC(=O)N1CC(Cn2cccn2)C1.Nc1ccc(-c2cccs2)nc1NC(=O)N1CC(C(F)(F)c2ncccn2)C1.Nc1ccc(-c2cccs2)nc1NC(=O)N1CC(Cc2ncc(F)cn2)C1.

What is the InChIKey of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(4-methylpyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-[difluoro(pyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-[(5-fluoropyrimidin-2-yl)methyl]azetidine-1-carboxamide?

The InChIKey is HZIVKPOJLIQEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O.C20H21FN6O.C19H19FN6O.C18H16F2N6OS.C18H17FN6OS/c1-13-8-9-24-19(25-13)10-14-11-28(12-14)21(29)27-20-17(23)6-7-18(26-20)15-2-4-16(22)5-3-15;1-26-9-8-23-18(26)10-13-11-27(12-13)20(28)25-19-16(22)6-7-17(24-19)14-2-4-15(21)5-3-14;20-15-4-2-14(3-5-15)17-7-6-16(21)18(23-17)24-19(27)25-10-13(11-25)12-26-9-1-8-22-26;19-18(20,16-22-6-2-7-23-16)11-9-26(10-11)17(27)25-15-12(21)4-5-13(24-15)14-3-1-8-28-14;19-12-7-21-16(22-8-12)6-11-9-25(10-11)18(26)24-17-13(20)3-4-14(23-17)15-2-1-5-27-15/h2-9,14H,10-12,23H2,1H3,(H,26,27,29);2-9,13H,10-12,22H2,1H3,(H,24,25,28);1-9,13H,10-12,21H2,(H,23,24,27);1-8,11H,9-10,21H2,(H,24,25,27);1-5,7-8,11H,6,9-10,20H2,(H,23,24,26).

What are the key properties of N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(4-methylpyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-[difluoro(pyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-[(5-fluoropyrimidin-2-yl)methyl]azetidine-1-carboxamide?

N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(4-methylpyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-[difluoro(pyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-[(5-fluoropyrimidin-2-yl)methyl]azetidine-1-carboxamide has a molecular weight of 1926.13 g/mol, XLogP of 15.48, 20 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(1-methylimidazol-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-[(4-methylpyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-3-(pyrazol-1-ylmethyl)azetidine-1-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-[difluoro(pyrimidin-2-yl)methyl]azetidine-1-carboxamide;N-(3-amino-6-thiophen-2-yl-2-pyridinyl)-3-[(5-fluoropyrimidin-2-yl)methyl]azetidine-1-carboxamide is sourced from PubChem (CID 158632363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).