N-[2-chloro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-methyl-N-[2-methyl-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]propanamide

C85H87ClF2N16O8 — CID 167546210

About N-[2-chloro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-methyl-N-[2-methyl-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]propanamide

N-[2-chloro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-methyl-N-[2-methyl-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]propanamide (PubChem CID 167546210) has the molecular formula C85H87ClF2N16O8 and a molecular weight of 1534.18 g/mol. Its IUPAC name is N-[2-chloro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-methyl-N-[2-methyl-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]propanamide.

Molecular Properties

• Compound Name: N-[2-chloro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-methyl-N-[2-methyl-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]propanamide
• PubChem CID: 167546210
• Molecular Formula: C85H87ClF2N16O8
• Molecular Weight: 1534.18 g/mol
• Exact Mass: 1532.65
• IUPAC Name: N-[2-chloro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-methyl-N-[2-methyl-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]propanamide
• SMILES: CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccn(C)n3)cn2)cc1Cl.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccn(C)n3)cn2)cc1F.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccn(C)n3)nc2)cc1C.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccn(C)n3)nc2)cc1F
• InChI: InChI=1S/C22H24N4O2.C21H21ClN4O2.2C21H21FN4O2/c1-5-22(28)26(4)20-9-7-16(12-15(20)2)17-6-8-19(23-14-17)21(27)13-18-10-11-25(3)24-18;2*1-4-21(28)26(3)19-8-6-14(11-17(19)22)18-7-5-15(13-23-18)20(27)12-16-9-10-25(2)24-16;1-4-21(28)26(3)19-8-6-14(11-17(19)22)15-5-7-18(23-13-15)20(27)12-16-9-10-25(2)24-16/h6-12,14H,5,13H2,1-4H3;3*5-11,13H,4,12H2,1-3H3
• InChIKey: BVAZEUPNJRNMEP-UHFFFAOYSA-N
• XLogP: 14.36
• TPSA: 272.36 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 24
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1534.18
LogP ≤ 5	14.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-methyl-N-[2-methyl-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]propanamide?

The IUPAC name of N-[2-chloro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-methyl-N-[2-methyl-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]propanamide (CID 167546210) is N-[2-chloro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-methyl-N-[2-methyl-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]propanamide.

What is the SMILES notation for N-[2-chloro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-methyl-N-[2-methyl-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]propanamide?

The canonical SMILES for N-[2-chloro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-methyl-N-[2-methyl-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]propanamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccn(C)n3)cn2)cc1Cl.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccn(C)n3)cn2)cc1F.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccn(C)n3)nc2)cc1C.CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ccn(C)n3)nc2)cc1F.

What is the InChIKey of N-[2-chloro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-methyl-N-[2-methyl-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]propanamide?

The InChIKey is BVAZEUPNJRNMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2.C21H21ClN4O2.2C21H21FN4O2/c1-5-22(28)26(4)20-9-7-16(12-15(20)2)17-6-8-19(23-14-17)21(27)13-18-10-11-25(3)24-18;2*1-4-21(28)26(3)19-8-6-14(11-17(19)22)18-7-5-15(13-23-18)20(27)12-16-9-10-25(2)24-16;1-4-21(28)26(3)19-8-6-14(11-17(19)22)15-5-7-18(23-13-15)20(27)12-16-9-10-25(2)24-16/h6-12,14H,5,13H2,1-4H3;3*5-11,13H,4,12H2,1-3H3.

What are the key properties of N-[2-chloro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-methyl-N-[2-methyl-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]propanamide?

N-[2-chloro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-methyl-N-[2-methyl-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]propanamide has a molecular weight of 1534.18 g/mol, XLogP of 14.36, 24 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[5-[2-(1-methylpyrazol-3-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide;N-methyl-N-[2-methyl-4-[6-[2-(1-methylpyrazol-3-yl)acetyl]-3-pyridinyl]phenyl]propanamide is sourced from PubChem (CID 167546210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).