3-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine

C19H17N5O — CID 138382909

IUPAC3-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2ncc(-c3nccn3-c3cccc4c3CCO4)c2n1
InChIInChI=1S/C19H17N5O/c1-12-10-13(2)24-19(22-12)15(11-21-24)18-20-7-8-23(18)16-4-3-5-17-14(16)6-9-25-17/h3-5,7-8,10-11H,6,9H2,1-2H3
InChIKeyHKCHKPBRDUWHNL-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.13
Rot. Bonds2

About 3-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine

3-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 138382909) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID138382909
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name3-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(C)n2ncc(-c3nccn3-c3cccc4c3CCO4)c2n1
InChIInChI=1S/C19H17N5O/c1-12-10-13(2)24-19(22-12)15(11-21-24)18-20-7-8-23(18)16-4-3-5-17-14(16)6-9-25-17/h3-5,7-8,10-11H,6,9H2,1-2H3
InChIKeyHKCHKPBRDUWHNL-UHFFFAOYSA-N
XLogP3.13
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]-1,4,5-trimethylimidazole
CID 138387378
7-[2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)imidazol-1-yl]-4H-1,4-benzoxazin-3-one
CID 154566361
1-[3-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylethanamine
CID 138379325
1-(2,3-dihydro-1-benzofuran-4-yl)-2-(7-methoxy-1,3-benzodioxol-5-yl)imidazole
CID 138384537
3-(3-chlorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine
CID 6500069
2-[5-[2-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)imidazol-1-yl]benzimidazol-1-yl]ethanol
CID 138385007
5,7-dimethyl-3-[1-[(3S,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]imidazol-2-yl]pyrazolo[1,5-a]pyrimidine
CID 166620296
N-(2,3-dihydro-1-benzofuran-4-yl)-2,4-dimethylpyrrolo[1,2-a]pyrimidine-8-carboxamide
CID 146432138
5,7-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 51345972
2-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methylphenyl)imidazole
CID 58947269
3,5,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 18684975
3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-(1H-indazol-7-yl)-1,2,4-oxadiazole
CID 71876216

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine (CID 138382909) is 3-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine is Cc1cc(C)n2ncc(-c3nccn3-c3cccc4c3CCO4)c2n1.
What is the InChIKey of 3-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is HKCHKPBRDUWHNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-12-10-13(2)24-19(22-12)15(11-21-24)18-20-7-8-23(18)16-4-3-5-17-14(16)6-9-25-17/h3-5,7-8,10-11H,6,9H2,1-2H3.
What are the key properties of 3-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine?
3-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 331.38 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dihydro-1-benzofuran-4-yl)imidazol-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 138382909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).