N-[4-[2-[(2-hydroxy-1-propan-2-yl-5-pyrazol-1-yl-2H-pyridin-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide

C26H28N8O3 — CID 166833658

IUPACN-[4-[2-[(2-hydroxy-1-propan-2-yl-5-pyrazol-1-yl-2H-pyridin-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc3nc(NC4=CC(n5cccn5)=CN(C(C)C)C4O)n(C)c3c2)ccn1
InChIInChI=1S/C26H28N8O3/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/h5-16,25,36H,1-4H3,(H,30,31)(H,27,29,35)
InChIKeyNNQHESDAKGXCGA-UHFFFAOYSA-N
MW500.56 g/mol
LogP3.75
Rot. Bonds7

About N-[4-[2-[(2-hydroxy-1-propan-2-yl-5-pyrazol-1-yl-2H-pyridin-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide

N-[4-[2-[(2-hydroxy-1-propan-2-yl-5-pyrazol-1-yl-2H-pyridin-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide (PubChem CID 166833658) has the molecular formula C26H28N8O3 and a molecular weight of 500.56 g/mol. Its IUPAC name is N-[4-[2-[(2-hydroxy-1-propan-2-yl-5-pyrazol-1-yl-2H-pyridin-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-[(2-hydroxy-1-propan-2-yl-5-pyrazol-1-yl-2H-pyridin-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
PubChem CID166833658
Molecular FormulaC26H28N8O3
Molecular Weight500.56 g/mol
Exact Mass500.23
IUPAC NameN-[4-[2-[(2-hydroxy-1-propan-2-yl-5-pyrazol-1-yl-2H-pyridin-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc3nc(NC4=CC(n5cccn5)=CN(C(C)C)C4O)n(C)c3c2)ccn1
InChIInChI=1S/C26H28N8O3/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/h5-16,25,36H,1-4H3,(H,30,31)(H,27,29,35)
InChIKeyNNQHESDAKGXCGA-UHFFFAOYSA-N
XLogP3.75
TPSA122.36 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.56
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[4-[2-[(2-hydroxy-1-propan-2-yl-5-pyrazol-1-yl-2H-pyridin-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(2-hydroxy-1-propan-2-yl-5-pyrazol-1-yl-2H-pyridin-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[2-[(2-hydroxy-1-propan-2-yl-5-pyrazol-1-yl-2H-pyridin-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide (CID 166833658) is N-[4-[2-[(2-hydroxy-1-propan-2-yl-5-pyrazol-1-yl-2H-pyridin-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[2-[(2-hydroxy-1-propan-2-yl-5-pyrazol-1-yl-2H-pyridin-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[2-[(2-hydroxy-1-propan-2-yl-5-pyrazol-1-yl-2H-pyridin-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide is CC(=O)Nc1cc(Oc2ccc3nc(NC4=CC(n5cccn5)=CN(C(C)C)C4O)n(C)c3c2)ccn1.
What is the InChIKey of N-[4-[2-[(2-hydroxy-1-propan-2-yl-5-pyrazol-1-yl-2H-pyridin-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide?
The InChIKey is NNQHESDAKGXCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O3/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/h5-16,25,36H,1-4H3,(H,30,31)(H,27,29,35).
What are the key properties of N-[4-[2-[(2-hydroxy-1-propan-2-yl-5-pyrazol-1-yl-2H-pyridin-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide?
N-[4-[2-[(2-hydroxy-1-propan-2-yl-5-pyrazol-1-yl-2H-pyridin-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide has a molecular weight of 500.56 g/mol, XLogP of 3.75, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(2-hydroxy-1-propan-2-yl-5-pyrazol-1-yl-2H-pyridin-3-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide is sourced from PubChem (CID 166833658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).