N-[2-(2,3-dihydrofuran-5-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-3-phenoxypropanamide

C22H23N5O3 — CID 71122627

IUPACN-[2-(2,3-dihydrofuran-5-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-3-phenoxypropanamide
SMILESCc1cc(C)n(-c2cc(NC(=O)CCOc3ccccc3)nc(C3=CCCO3)n2)n1
InChIInChI=1S/C22H23N5O3/c1-15-13-16(2)27(26-15)20-14-19(24-22(25-20)18-9-6-11-30-18)23-21(28)10-12-29-17-7-4-3-5-8-17/h3-5,7-9,13-14H,6,10-12H2,1-2H3,(H,23,24,25,28)
InChIKeyOHXHXZVTOPSWIT-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.45
Rot. Bonds7

About N-[2-(2,3-dihydrofuran-5-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-3-phenoxypropanamide

N-[2-(2,3-dihydrofuran-5-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-3-phenoxypropanamide (PubChem CID 71122627) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[2-(2,3-dihydrofuran-5-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydrofuran-5-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-3-phenoxypropanamide
PubChem CID71122627
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC NameN-[2-(2,3-dihydrofuran-5-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-3-phenoxypropanamide
SMILESCc1cc(C)n(-c2cc(NC(=O)CCOc3ccccc3)nc(C3=CCCO3)n2)n1
InChIInChI=1S/C22H23N5O3/c1-15-13-16(2)27(26-15)20-14-19(24-22(25-20)18-9-6-11-30-18)23-21(28)10-12-29-17-7-4-3-5-8-17/h3-5,7-9,13-14H,6,10-12H2,1-2H3,(H,23,24,25,28)
InChIKeyOHXHXZVTOPSWIT-UHFFFAOYSA-N
XLogP3.45
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(2,3-dihydrofuran-5-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-3-phenoxypropanamide 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-[6-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)pyrimidin-4-yl]propanamide
CID 11472403
2-(dimethylamino)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)pyrimidin-4-yl]acetamide
CID 69282397
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenoxypropanamide
CID 110778020
N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-pyridinyl]-3-phenoxypropanamide
CID 113036241
2-[2-[(dimethylamino)methyl]-3-methoxyphenoxy]-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide
CID 24740133
3-(2,3-dimethylphenoxy)-N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]propanamide
CID 55670156
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(3-morpholin-4-ylpropylamino)acetamide
CID 57473451
N-(4-methyl-1,3-thiazol-2-yl)-3-phenoxypropanamide
CID 17361679
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
N-benzyl-6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-amine
CID 1376772
N-(5-methyl-1,2-oxazol-3-yl)-3-(3-phenoxypropanoylamino)propanamide
CID 110370366
4-[2-[[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]amino]-2-oxoethyl]-N-hydroxybenzamide
CID 156789758

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydrofuran-5-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-3-phenoxypropanamide?
The IUPAC name of N-[2-(2,3-dihydrofuran-5-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-3-phenoxypropanamide (CID 71122627) is N-[2-(2,3-dihydrofuran-5-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-3-phenoxypropanamide.
What is the SMILES notation for N-[2-(2,3-dihydrofuran-5-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-3-phenoxypropanamide?
The canonical SMILES for N-[2-(2,3-dihydrofuran-5-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-3-phenoxypropanamide is Cc1cc(C)n(-c2cc(NC(=O)CCOc3ccccc3)nc(C3=CCCO3)n2)n1.
What is the InChIKey of N-[2-(2,3-dihydrofuran-5-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-3-phenoxypropanamide?
The InChIKey is OHXHXZVTOPSWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-15-13-16(2)27(26-15)20-14-19(24-22(25-20)18-9-6-11-30-18)23-21(28)10-12-29-17-7-4-3-5-8-17/h3-5,7-9,13-14H,6,10-12H2,1-2H3,(H,23,24,25,28).
What are the key properties of N-[2-(2,3-dihydrofuran-5-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-3-phenoxypropanamide?
N-[2-(2,3-dihydrofuran-5-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-3-phenoxypropanamide has a molecular weight of 405.46 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydrofuran-5-yl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]-3-phenoxypropanamide is sourced from PubChem (CID 71122627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).