4-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]amino]-2-oxoethyl]-N-hydroxybenzamide

C23H22N6O4 — CID 156789758

IUPAC4-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]amino]-2-oxoethyl]-N-hydroxybenzamide
SMILESCc1cc(C)n(-c2cc(NC(=O)Cc3ccc(C(=O)NO)cc3)nc(-c3ccc(C)o3)n2)n1
InChIInChI=1S/C23H22N6O4/c1-13-10-14(2)29(27-13)20-12-19(25-22(26-20)18-9-4-15(3)33-18)24-21(30)11-16-5-7-17(8-6-16)23(31)28-32/h4-10,12,32H,11H2,1-3H3,(H,28,31)(H,24,25,26,30)
InChIKeyNQTKADXASPFQAS-UHFFFAOYSA-N
MW446.47 g/mol
LogP3.15
Rot. Bonds6

About 4-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]amino]-2-oxoethyl]-N-hydroxybenzamide

4-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]amino]-2-oxoethyl]-N-hydroxybenzamide (PubChem CID 156789758) has the molecular formula C23H22N6O4 and a molecular weight of 446.47 g/mol. Its IUPAC name is 4-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]amino]-2-oxoethyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]amino]-2-oxoethyl]-N-hydroxybenzamide
PubChem CID156789758
Molecular FormulaC23H22N6O4
Molecular Weight446.47 g/mol
Exact Mass446.17
IUPAC Name4-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]amino]-2-oxoethyl]-N-hydroxybenzamide
SMILESCc1cc(C)n(-c2cc(NC(=O)Cc3ccc(C(=O)NO)cc3)nc(-c3ccc(C)o3)n2)n1
InChIInChI=1S/C23H22N6O4/c1-13-10-14(2)29(27-13)20-12-19(25-22(26-20)18-9-4-15(3)33-18)24-21(30)11-16-5-7-17(8-6-16)23(31)28-32/h4-10,12,32H,11H2,1-3H3,(H,28,31)(H,24,25,26,30)
InChIKeyNQTKADXASPFQAS-UHFFFAOYSA-N
XLogP3.15
TPSA135.17 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[ethyl(piperidin-1-yl)amino]acetamide
CID 90885941
2-[4-(aminomethyl)piperidin-1-yl]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide
CID 24824458
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(3-morpholin-4-ylpropylamino)acetamide
CID 57473451
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(2-formyl-4-methylphenoxy)acetamide
CID 87758337
[(2R)-pyrrolidin-2-yl] N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]carbamate
CID 67052176
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)pyrimidin-4-yl]propanamide
CID 11472403
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-[(3R)-3-[(3R)-3-fluoropyrrolidin-1-yl]pyrrolidin-1-yl]acetamide
CID 67052019
2-[2-[(dimethylamino)methyl]-3-methoxyphenoxy]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide
CID 24740133
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methoxypiperidin-1-yl)acetamide;2,2,2-trifluoroacetic acid
CID 24824324
2-[4-[(dimethylamino)methyl]-3-methoxyphenoxy]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]propanamide
CID 69262801
2-[2-[(dimethylamino)methyl]-6-methoxyphenoxy]ethyl N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]carbamate
CID 24738031
2-[2-[(dimethylamino)methyl]-3-methoxyphenoxy]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]propanamide
CID 69262428

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]amino]-2-oxoethyl]-N-hydroxybenzamide?
The IUPAC name of 4-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]amino]-2-oxoethyl]-N-hydroxybenzamide (CID 156789758) is 4-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]amino]-2-oxoethyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]amino]-2-oxoethyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]amino]-2-oxoethyl]-N-hydroxybenzamide is Cc1cc(C)n(-c2cc(NC(=O)Cc3ccc(C(=O)NO)cc3)nc(-c3ccc(C)o3)n2)n1.
What is the InChIKey of 4-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]amino]-2-oxoethyl]-N-hydroxybenzamide?
The InChIKey is NQTKADXASPFQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O4/c1-13-10-14(2)29(27-13)20-12-19(25-22(26-20)18-9-4-15(3)33-18)24-21(30)11-16-5-7-17(8-6-16)23(31)28-32/h4-10,12,32H,11H2,1-3H3,(H,28,31)(H,24,25,26,30).
What are the key properties of 4-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]amino]-2-oxoethyl]-N-hydroxybenzamide?
4-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]amino]-2-oxoethyl]-N-hydroxybenzamide has a molecular weight of 446.47 g/mol, XLogP of 3.15, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]amino]-2-oxoethyl]-N-hydroxybenzamide is sourced from PubChem (CID 156789758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).