2-ethyl-N-[4-fluoro-2-methyl-5-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide

C28H26FN7O — CID 91174177

About 2-ethyl-N-[4-fluoro-2-methyl-5-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide

2-ethyl-N-[4-fluoro-2-methyl-5-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide (PubChem CID 91174177) has the molecular formula C28H26FN7O and a molecular weight of 495.56 g/mol. Its IUPAC name is 2-ethyl-N-[4-fluoro-2-methyl-5-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 2-ethyl-N-[4-fluoro-2-methyl-5-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide
• PubChem CID: 91174177
• Molecular Formula: C28H26FN7O
• Molecular Weight: 495.56 g/mol
• Exact Mass: 495.22
• IUPAC Name: 2-ethyl-N-[4-fluoro-2-methyl-5-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide
• SMILES: CCn1nc(C)cc1C(=O)Nc1cc(Nc2ccc3c(C=Cc4ccccn4)n[nH]c3c2)c(F)cc1C
• InChI: InChI=1S/C28H26FN7O/c1-4-36-27(14-18(3)35-36)28(37)32-24-16-26(22(29)13-17(24)2)31-20-8-10-21-23(33-34-25(21)15-20)11-9-19-7-5-6-12-30-19/h5-16,31H,4H2,1-3H3,(H,32,37)(H,33,34)
• InChIKey: MGMPLTIIDFSKQV-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 100.52 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.56
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-fluoro-2-methyl-5-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide?

The IUPAC name of 2-ethyl-N-[4-fluoro-2-methyl-5-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide (CID 91174177) is 2-ethyl-N-[4-fluoro-2-methyl-5-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide.

What is the SMILES notation for 2-ethyl-N-[4-fluoro-2-methyl-5-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide?

The canonical SMILES for 2-ethyl-N-[4-fluoro-2-methyl-5-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)Nc1cc(Nc2ccc3c(C=Cc4ccccn4)n[nH]c3c2)c(F)cc1C.

What is the InChIKey of 2-ethyl-N-[4-fluoro-2-methyl-5-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide?

The InChIKey is MGMPLTIIDFSKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN7O/c1-4-36-27(14-18(3)35-36)28(37)32-24-16-26(22(29)13-17(24)2)31-20-8-10-21-23(33-34-25(21)15-20)11-9-19-7-5-6-12-30-19/h5-16,31H,4H2,1-3H3,(H,32,37)(H,33,34).

What are the key properties of 2-ethyl-N-[4-fluoro-2-methyl-5-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide?

2-ethyl-N-[4-fluoro-2-methyl-5-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 495.56 g/mol, XLogP of 6.10, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-N-[4-fluoro-2-methyl-5-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 91174177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).