6-cyclopropyloxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide;6-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide;1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-6-methyl-2-oxopyridine-3-carboxamide

C96H70F6N18O11 — CID 167638419

About 6-cyclopropyloxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide;6-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide;1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-6-methyl-2-oxopyridine-3-carboxamide

6-cyclopropyloxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide;6-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide;1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-6-methyl-2-oxopyridine-3-carboxamide (PubChem CID 167638419) has the molecular formula C96H70F6N18O11 and a molecular weight of 1765.72 g/mol. Its IUPAC name is 6-cyclopropyloxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide;6-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide;1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-6-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-cyclopropyloxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide;6-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide;1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-6-methyl-2-oxopyridine-3-carboxamide
• PubChem CID: 167638419
• Molecular Formula: C96H70F6N18O11
• Molecular Weight: 1765.72 g/mol
• Exact Mass: 1764.54
• IUPAC Name: 6-cyclopropyloxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide;6-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide;1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-6-methyl-2-oxopyridine-3-carboxamide
• SMILES: CCOc1ccc(C(=O)Nc2ccc(Oc3cc4cnn5c4c(c3-c3cn[nH]c3)CC5)c(F)c2)c(=O)n1-c1ccc(F)cc1.Cc1ccc(C(=O)Nc2ccc(Oc3cc4cnn5c4c(c3-c3cn[nH]c3)CC5)c(F)c2)c(=O)n1-c1ccc(F)cc1.O=C(Nc1ccc(Oc2cc3cnn4c3c(c2-c2cn[nH]c2)CC4)c(F)c1)c1ccc(OC2CC2)n(-c2ccc(F)cc2)c1=O
• InChI: InChI=1S/C33H24F2N6O4.C32H24F2N6O4.C31H22F2N6O3/c34-20-1-4-22(5-2-20)41-29(44-23-6-7-23)10-8-25(33(41)43)32(42)39-21-3-9-27(26(35)14-21)45-28-13-18-17-38-40-12-11-24(31(18)40)30(28)19-15-36-37-16-19;1-2-43-28-10-8-24(32(42)40(28)22-6-3-20(33)4-7-22)31(41)38-21-5-9-26(25(34)14-21)44-27-13-18-17-37-39-12-11-23(30(18)39)29(27)19-15-35-36-16-19;1-17-2-8-24(31(41)39(17)22-6-3-20(32)4-7-22)30(40)37-21-5-9-26(25(33)13-21)42-27-12-18-16-36-38-11-10-23(29(18)38)28(27)19-14-34-35-15-19/h1-5,8-10,13-17,23H,6-7,11-12H2,(H,36,37)(H,39,42);3-10,13-17H,2,11-12H2,1H3,(H,35,36)(H,38,41);2-9,12-16H,10-11H2,1H3,(H,34,35)(H,37,40)
• InChIKey: OUTATBZBERUDGD-UHFFFAOYSA-N
• XLogP: 17.62
• TPSA: 338.95 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 22
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1765.72
LogP ≤ 5	17.62
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyloxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide;6-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide;1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-6-methyl-2-oxopyridine-3-carboxamide?

The IUPAC name of 6-cyclopropyloxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide;6-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide;1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-6-methyl-2-oxopyridine-3-carboxamide (CID 167638419) is 6-cyclopropyloxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide;6-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide;1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-6-methyl-2-oxopyridine-3-carboxamide.

What is the SMILES notation for 6-cyclopropyloxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide;6-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide;1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-6-methyl-2-oxopyridine-3-carboxamide?

The canonical SMILES for 6-cyclopropyloxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide;6-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide;1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-6-methyl-2-oxopyridine-3-carboxamide is CCOc1ccc(C(=O)Nc2ccc(Oc3cc4cnn5c4c(c3-c3cn[nH]c3)CC5)c(F)c2)c(=O)n1-c1ccc(F)cc1.Cc1ccc(C(=O)Nc2ccc(Oc3cc4cnn5c4c(c3-c3cn[nH]c3)CC5)c(F)c2)c(=O)n1-c1ccc(F)cc1.O=C(Nc1ccc(Oc2cc3cnn4c3c(c2-c2cn[nH]c2)CC4)c(F)c1)c1ccc(OC2CC2)n(-c2ccc(F)cc2)c1=O.

What is the InChIKey of 6-cyclopropyloxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide;6-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide;1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-6-methyl-2-oxopyridine-3-carboxamide?

The InChIKey is OUTATBZBERUDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24F2N6O4.C32H24F2N6O4.C31H22F2N6O3/c34-20-1-4-22(5-2-20)41-29(44-23-6-7-23)10-8-25(33(41)43)32(42)39-21-3-9-27(26(35)14-21)45-28-13-18-17-38-40-12-11-24(31(18)40)30(28)19-15-36-37-16-19;1-2-43-28-10-8-24(32(42)40(28)22-6-3-20(33)4-7-22)31(41)38-21-5-9-26(25(34)14-21)44-27-13-18-17-37-39-12-11-23(30(18)39)29(27)19-15-35-36-16-19;1-17-2-8-24(31(41)39(17)22-6-3-20(32)4-7-22)30(40)37-21-5-9-26(25(33)13-21)42-27-12-18-16-36-38-11-10-23(29(18)38)28(27)19-14-34-35-15-19/h1-5,8-10,13-17,23H,6-7,11-12H2,(H,36,37)(H,39,42);3-10,13-17H,2,11-12H2,1H3,(H,35,36)(H,38,41);2-9,12-16H,10-11H2,1H3,(H,34,35)(H,37,40).

What are the key properties of 6-cyclopropyloxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide;6-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide;1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-6-methyl-2-oxopyridine-3-carboxamide?

6-cyclopropyloxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide;6-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide;1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-6-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 1765.72 g/mol, XLogP of 17.62, 22 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyloxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide;6-ethoxy-1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-2-oxopyridine-3-carboxamide;1-(4-fluorophenyl)-N-[3-fluoro-4-[[8-(1H-pyrazol-4-yl)-3,4-diazatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-9-yl]oxy]phenyl]-6-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 167638419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).