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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-{[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-1H-imidazo[4,5-c]pyridin-6-yl]oxy}phenyl)acetamide
CID 16099844
3-[5-(5-Ethoxy-6-Fluoro-1h-Benzimidazol-2-Yl)-1h-Pyrazol-4-Yl]-1,1-Diethylurea
CID 135566617
N-[4-[1-methyl-2-[3-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxypyridin-2-yl]acetamide
CID 57568471
N-[4-[1-methyl-2-[4-(trifluoromethoxy)anilino]benzimidazol-5-yl]oxypyridin-2-yl]acetamide
CID 57568562
3-(4-ethoxyphenyl)-N-(1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine
CID 71667612
N-(3-{[2-({1-[2-(dimethylamino)ethyl]-1H-pyrazol-4-yl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy}phenyl)prop-2-enamide
CID 86679616
N,N-diethyl-5-[1-[(1-ethylpyrazol-3-yl)methyl]-5-methoxybenzimidazol-2-yl]pyridin-2-amine
CID 137550075
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[2-(triazol-2-yl)anilino]pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 141489621
N-[4-methoxy-2-morpholin-4-yl-5-[[4-[2-(triazol-2-yl)anilino]pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 141489626
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[(9-phenylpurin-2-yl)amino]phenyl]prop-2-enamide
CID 145968202
N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-[(1,3-dimethylpyrazol-4-yl)amino]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide
CID 162515196
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[(1-methylpyrazol-4-yl)amino]pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 162515205

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).