N-[4-[3-methyl-2-[(2-oxo-1-propan-2-yl-5-pyrazol-1-yl-3-pyridinyl)amino]benzimidazol-5-yl]oxy-2-pyridinyl]acetamide

C26H26N8O3 — CID 157042422

IUPACN-[4-[3-methyl-2-[(2-oxo-1-propan-2-yl-5-pyrazol-1-yl-3-pyridinyl)amino]benzimidazol-5-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc3nc(Nc4cc(-n5cccn5)cn(C(C)C)c4=O)n(C)c3c2)ccn1
InChIInChI=1S/C26H26N8O3/c1-16(2)33-15-18(34-11-5-9-28-34)12-22(25(33)36)31-26-30-21-7-6-19(13-23(21)32(26)4)37-20-8-10-27-24(14-20)29-17(3)35/h5-16H,1-4H3,(H,30,31)(H,27,29,35)
InChIKeyZLTIDLOWCIWLCX-UHFFFAOYSA-N
MW498.55 g/mol
LogP4.39
Rot. Bonds7

About N-[4-[3-methyl-2-[(2-oxo-1-propan-2-yl-5-pyrazol-1-yl-3-pyridinyl)amino]benzimidazol-5-yl]oxy-2-pyridinyl]acetamide

N-[4-[3-methyl-2-[(2-oxo-1-propan-2-yl-5-pyrazol-1-yl-3-pyridinyl)amino]benzimidazol-5-yl]oxy-2-pyridinyl]acetamide (PubChem CID 157042422) has the molecular formula C26H26N8O3 and a molecular weight of 498.55 g/mol. Its IUPAC name is N-[4-[3-methyl-2-[(2-oxo-1-propan-2-yl-5-pyrazol-1-yl-3-pyridinyl)amino]benzimidazol-5-yl]oxy-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-methyl-2-[(2-oxo-1-propan-2-yl-5-pyrazol-1-yl-3-pyridinyl)amino]benzimidazol-5-yl]oxy-2-pyridinyl]acetamide
PubChem CID157042422
Molecular FormulaC26H26N8O3
Molecular Weight498.55 g/mol
Exact Mass498.21
IUPAC NameN-[4-[3-methyl-2-[(2-oxo-1-propan-2-yl-5-pyrazol-1-yl-3-pyridinyl)amino]benzimidazol-5-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc3nc(Nc4cc(-n5cccn5)cn(C(C)C)c4=O)n(C)c3c2)ccn1
InChIInChI=1S/C26H26N8O3/c1-16(2)33-15-18(34-11-5-9-28-34)12-22(25(33)36)31-26-30-21-7-6-19(13-23(21)32(26)4)37-20-8-10-27-24(14-20)29-17(3)35/h5-16H,1-4H3,(H,30,31)(H,27,29,35)
InChIKeyZLTIDLOWCIWLCX-UHFFFAOYSA-N
XLogP4.39
TPSA120.89 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.55
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-methyl-2-[(2-oxo-1-propan-2-yl-5-pyrazol-1-yl-3-pyridinyl)amino]benzimidazol-5-yl]oxy-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[3-methyl-2-[(2-oxo-1-propan-2-yl-5-pyrazol-1-yl-3-pyridinyl)amino]benzimidazol-5-yl]oxy-2-pyridinyl]acetamide (CID 157042422) is N-[4-[3-methyl-2-[(2-oxo-1-propan-2-yl-5-pyrazol-1-yl-3-pyridinyl)amino]benzimidazol-5-yl]oxy-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[3-methyl-2-[(2-oxo-1-propan-2-yl-5-pyrazol-1-yl-3-pyridinyl)amino]benzimidazol-5-yl]oxy-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[3-methyl-2-[(2-oxo-1-propan-2-yl-5-pyrazol-1-yl-3-pyridinyl)amino]benzimidazol-5-yl]oxy-2-pyridinyl]acetamide is CC(=O)Nc1cc(Oc2ccc3nc(Nc4cc(-n5cccn5)cn(C(C)C)c4=O)n(C)c3c2)ccn1.
What is the InChIKey of N-[4-[3-methyl-2-[(2-oxo-1-propan-2-yl-5-pyrazol-1-yl-3-pyridinyl)amino]benzimidazol-5-yl]oxy-2-pyridinyl]acetamide?
The InChIKey is ZLTIDLOWCIWLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8O3/c1-16(2)33-15-18(34-11-5-9-28-34)12-22(25(33)36)31-26-30-21-7-6-19(13-23(21)32(26)4)37-20-8-10-27-24(14-20)29-17(3)35/h5-16H,1-4H3,(H,30,31)(H,27,29,35).
What are the key properties of N-[4-[3-methyl-2-[(2-oxo-1-propan-2-yl-5-pyrazol-1-yl-3-pyridinyl)amino]benzimidazol-5-yl]oxy-2-pyridinyl]acetamide?
N-[4-[3-methyl-2-[(2-oxo-1-propan-2-yl-5-pyrazol-1-yl-3-pyridinyl)amino]benzimidazol-5-yl]oxy-2-pyridinyl]acetamide has a molecular weight of 498.55 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-methyl-2-[(2-oxo-1-propan-2-yl-5-pyrazol-1-yl-3-pyridinyl)amino]benzimidazol-5-yl]oxy-2-pyridinyl]acetamide is sourced from PubChem (CID 157042422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).