5-[4-[1-[2-[carbamoyl-(6-methyl-3-pyridinyl)amino]ethyl]-3-methylpyrazol-4-yl]-2,3-difluorophenyl]-N-[3-chloro-4-(piperazine-1-carbonyl)phenyl]-1-methylimidazole-2-carboxamide

C35H35ClF2N10O3 — CID 175590456

About 5-[4-[1-[2-[carbamoyl-(6-methyl-3-pyridinyl)amino]ethyl]-3-methylpyrazol-4-yl]-2,3-difluorophenyl]-N-[3-chloro-4-(piperazine-1-carbonyl)phenyl]-1-methylimidazole-2-carboxamide

5-[4-[1-[2-[carbamoyl-(6-methyl-3-pyridinyl)amino]ethyl]-3-methylpyrazol-4-yl]-2,3-difluorophenyl]-N-[3-chloro-4-(piperazine-1-carbonyl)phenyl]-1-methylimidazole-2-carboxamide (PubChem CID 175590456) has the molecular formula C35H35ClF2N10O3 and a molecular weight of 717.18 g/mol. Its IUPAC name is 5-[4-[1-[2-[carbamoyl-(6-methyl-3-pyridinyl)amino]ethyl]-3-methylpyrazol-4-yl]-2,3-difluorophenyl]-N-[3-chloro-4-(piperazine-1-carbonyl)phenyl]-1-methylimidazole-2-carboxamide.

Molecular Properties

• Compound Name: 5-[4-[1-[2-[carbamoyl-(6-methyl-3-pyridinyl)amino]ethyl]-3-methylpyrazol-4-yl]-2,3-difluorophenyl]-N-[3-chloro-4-(piperazine-1-carbonyl)phenyl]-1-methylimidazole-2-carboxamide
• PubChem CID: 175590456
• Molecular Formula: C35H35ClF2N10O3
• Molecular Weight: 717.18 g/mol
• Exact Mass: 716.26
• IUPAC Name: 5-[4-[1-[2-[carbamoyl-(6-methyl-3-pyridinyl)amino]ethyl]-3-methylpyrazol-4-yl]-2,3-difluorophenyl]-N-[3-chloro-4-(piperazine-1-carbonyl)phenyl]-1-methylimidazole-2-carboxamide
• SMILES: Cc1ccc(N(CCn2cc(-c3ccc(-c4cnc(C(=O)Nc5ccc(C(=O)N6CCNCC6)c(Cl)c5)n4C)c(F)c3F)c(C)n2)C(N)=O)cn1
• InChI: InChI=1S/C35H35ClF2N10O3/c1-20-4-6-23(17-41-20)48(35(39)51)15-14-47-19-27(21(2)44-47)24-8-9-26(31(38)30(24)37)29-18-42-32(45(29)3)33(49)43-22-5-7-25(28(36)16-22)34(50)46-12-10-40-11-13-46/h4-9,16-19,40H,10-15H2,1-3H3,(H2,39,51)(H,43,49)
• InChIKey: LCPZPJOPTMJUJT-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 156.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	717.18
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-[2-[carbamoyl-(6-methyl-3-pyridinyl)amino]ethyl]-3-methylpyrazol-4-yl]-2,3-difluorophenyl]-N-[3-chloro-4-(piperazine-1-carbonyl)phenyl]-1-methylimidazole-2-carboxamide?

The IUPAC name of 5-[4-[1-[2-[carbamoyl-(6-methyl-3-pyridinyl)amino]ethyl]-3-methylpyrazol-4-yl]-2,3-difluorophenyl]-N-[3-chloro-4-(piperazine-1-carbonyl)phenyl]-1-methylimidazole-2-carboxamide (CID 175590456) is 5-[4-[1-[2-[carbamoyl-(6-methyl-3-pyridinyl)amino]ethyl]-3-methylpyrazol-4-yl]-2,3-difluorophenyl]-N-[3-chloro-4-(piperazine-1-carbonyl)phenyl]-1-methylimidazole-2-carboxamide.

What is the SMILES notation for 5-[4-[1-[2-[carbamoyl-(6-methyl-3-pyridinyl)amino]ethyl]-3-methylpyrazol-4-yl]-2,3-difluorophenyl]-N-[3-chloro-4-(piperazine-1-carbonyl)phenyl]-1-methylimidazole-2-carboxamide?

The canonical SMILES for 5-[4-[1-[2-[carbamoyl-(6-methyl-3-pyridinyl)amino]ethyl]-3-methylpyrazol-4-yl]-2,3-difluorophenyl]-N-[3-chloro-4-(piperazine-1-carbonyl)phenyl]-1-methylimidazole-2-carboxamide is Cc1ccc(N(CCn2cc(-c3ccc(-c4cnc(C(=O)Nc5ccc(C(=O)N6CCNCC6)c(Cl)c5)n4C)c(F)c3F)c(C)n2)C(N)=O)cn1.

What is the InChIKey of 5-[4-[1-[2-[carbamoyl-(6-methyl-3-pyridinyl)amino]ethyl]-3-methylpyrazol-4-yl]-2,3-difluorophenyl]-N-[3-chloro-4-(piperazine-1-carbonyl)phenyl]-1-methylimidazole-2-carboxamide?

The InChIKey is LCPZPJOPTMJUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35ClF2N10O3/c1-20-4-6-23(17-41-20)48(35(39)51)15-14-47-19-27(21(2)44-47)24-8-9-26(31(38)30(24)37)29-18-42-32(45(29)3)33(49)43-22-5-7-25(28(36)16-22)34(50)46-12-10-40-11-13-46/h4-9,16-19,40H,10-15H2,1-3H3,(H2,39,51)(H,43,49).

What are the key properties of 5-[4-[1-[2-[carbamoyl-(6-methyl-3-pyridinyl)amino]ethyl]-3-methylpyrazol-4-yl]-2,3-difluorophenyl]-N-[3-chloro-4-(piperazine-1-carbonyl)phenyl]-1-methylimidazole-2-carboxamide?

5-[4-[1-[2-[carbamoyl-(6-methyl-3-pyridinyl)amino]ethyl]-3-methylpyrazol-4-yl]-2,3-difluorophenyl]-N-[3-chloro-4-(piperazine-1-carbonyl)phenyl]-1-methylimidazole-2-carboxamide has a molecular weight of 717.18 g/mol, XLogP of 4.78, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[1-[2-[carbamoyl-(6-methyl-3-pyridinyl)amino]ethyl]-3-methylpyrazol-4-yl]-2,3-difluorophenyl]-N-[3-chloro-4-(piperazine-1-carbonyl)phenyl]-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 175590456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).