N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]oxyphenyl]butanamide

C24H24N6O2 — CID 147110336

IUPACN-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]oxyphenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Oc2nc(Nc3cc(C)[nH]n3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H24N6O2/c1-3-7-23(31)25-18-10-12-19(13-11-18)32-24-26-20(17-8-5-4-6-9-17)15-21(28-24)27-22-14-16(2)29-30-22/h4-6,8-15H,3,7H2,1-2H3,(H,25,31)(H2,26,27,28,29,30)
InChIKeyBMJONWBVYKKBFX-UHFFFAOYSA-N
MW428.50 g/mol
LogP5.45
Rot. Bonds8

About N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]oxyphenyl]butanamide

N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]oxyphenyl]butanamide (PubChem CID 147110336) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]oxyphenyl]butanamide.

Molecular Properties

Compound NameN-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]oxyphenyl]butanamide
PubChem CID147110336
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC NameN-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]oxyphenyl]butanamide
SMILESCCCC(=O)Nc1ccc(Oc2nc(Nc3cc(C)[nH]n3)cc(-c3ccccc3)n2)cc1
InChIInChI=1S/C24H24N6O2/c1-3-7-23(31)25-18-10-12-19(13-11-18)32-24-26-20(17-8-5-4-6-9-17)15-21(28-24)27-22-14-16(2)29-30-22/h4-6,8-15H,3,7H2,1-2H3,(H,25,31)(H2,26,27,28,29,30)
InChIKeyBMJONWBVYKKBFX-UHFFFAOYSA-N
XLogP5.45
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.50
LogP ≤ 55.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]oxyphenyl]butanamide 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

actinium;[4-[4-(3-methylphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxyphenyl]azanide
CID 20604285
N-[4-[4-(3-butyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxyphenyl]-3,3,3-trifluoropropanamide
CID 71194504
N-[4-[4-(4-ethoxyphenyl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]acetamide
CID 18765144
6-(2,6-dimethylphenyl)-N-(5-methyl-1H-pyrazol-3-yl)-2-naphthalen-2-yloxypyrimidin-4-amine
CID 20604139
N-[4-[(5-methyl-1H-pyrazol-3-yl)oxy]phenyl]-3-[(2-phenylacetyl)amino]propanamide
CID 99716304
N-(5-phenyl-1H-pyrazol-3-yl)butanamide
CID 110868179
N-(5-methyl-1H-pyrazol-3-yl)-2-phenoxyacetamide
CID 47148567
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-4-oxo-4-phenylbutanamide
CID 108742508
N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-methoxyacetamide
CID 108742534
2-(2-methylphenoxy)-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]acetamide
CID 110732601
2-(2-methoxyphenoxy)-N-[4-(5-methyl-1H-pyrazol-3-yl)phenyl]acetamide
CID 110732585
N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54822685

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]oxyphenyl]butanamide?
The IUPAC name of N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]oxyphenyl]butanamide (CID 147110336) is N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]oxyphenyl]butanamide.
What is the SMILES notation for N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]oxyphenyl]butanamide?
The canonical SMILES for N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]oxyphenyl]butanamide is CCCC(=O)Nc1ccc(Oc2nc(Nc3cc(C)[nH]n3)cc(-c3ccccc3)n2)cc1.
What is the InChIKey of N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]oxyphenyl]butanamide?
The InChIKey is BMJONWBVYKKBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c1-3-7-23(31)25-18-10-12-19(13-11-18)32-24-26-20(17-8-5-4-6-9-17)15-21(28-24)27-22-14-16(2)29-30-22/h4-6,8-15H,3,7H2,1-2H3,(H,25,31)(H2,26,27,28,29,30).
What are the key properties of N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]oxyphenyl]butanamide?
N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]oxyphenyl]butanamide has a molecular weight of 428.50 g/mol, XLogP of 5.45, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-phenylpyrimidin-2-yl]oxyphenyl]butanamide is sourced from PubChem (CID 147110336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).