7-(benzimidazol-1-yl)-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine

C23H21N5O2 — CID 4911370

IUPAC7-(benzimidazol-1-yl)-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2c(C)nn3c(-n4cnc5ccccc54)cc(C)nc23)cc1OC
InChIInChI=1S/C23H21N5O2/c1-14-11-21(27-13-24-17-7-5-6-8-18(17)27)28-23(25-14)22(15(2)26-28)16-9-10-19(29-3)20(12-16)30-4/h5-13H,1-4H3
InChIKeyWYKAMTSZRKTFKB-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.37
Rot. Bonds4

About 7-(benzimidazol-1-yl)-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine

7-(benzimidazol-1-yl)-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine (PubChem CID 4911370) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 7-(benzimidazol-1-yl)-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(benzimidazol-1-yl)-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
PubChem CID4911370
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name7-(benzimidazol-1-yl)-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine
SMILESCOc1ccc(-c2c(C)nn3c(-n4cnc5ccccc54)cc(C)nc23)cc1OC
InChIInChI=1S/C23H21N5O2/c1-14-11-21(27-13-24-17-7-5-6-8-18(17)27)28-23(25-14)22(15(2)26-28)16-9-10-19(29-3)20(12-16)30-4/h5-13H,1-4H3
InChIKeyWYKAMTSZRKTFKB-UHFFFAOYSA-N
XLogP4.37
TPSA66.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3,4-dimethoxyphenyl)-2,5-dimethyl-7-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 142400735
3-[4-(benzimidazol-1-yl)phenyl]-6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazine
CID 24946965
7-(benzimidazol-1-yl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 3817354
3-(3,4-dimethoxyphenyl)-2,5-dimethyl-7-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]pyrazolo[1,5-a]pyrimidine
CID 7599051
7-chloro-3-(3,4-dimethoxyphenyl)-2-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 82274773
3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-[(3-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 118255736
3-(4-methoxyphenyl)-2,5-dimethyl-7-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 16668295
3-(3,4-dimethoxyphenyl)-2-methyl-5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 22332914
3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-[(4-methylsulfonylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 118255731
7-[4-(4-methoxyphenyl)piperazin-1-yl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 20861586
3-(2-methoxyphenyl)-2,5-dimethyl-7-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 4871516
8-(3,4-dimethoxyphenyl)-4,7-dimethylpyrazolo[5,1-c][1,2,4]triazine-3-carboxylic acid
CID 90183224

Frequently Asked Questions

What is the IUPAC name of 7-(benzimidazol-1-yl)-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(benzimidazol-1-yl)-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine (CID 4911370) is 7-(benzimidazol-1-yl)-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(benzimidazol-1-yl)-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(benzimidazol-1-yl)-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine is COc1ccc(-c2c(C)nn3c(-n4cnc5ccccc54)cc(C)nc23)cc1OC.
What is the InChIKey of 7-(benzimidazol-1-yl)-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
The InChIKey is WYKAMTSZRKTFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-14-11-21(27-13-24-17-7-5-6-8-18(17)27)28-23(25-14)22(15(2)26-28)16-9-10-19(29-3)20(12-16)30-4/h5-13H,1-4H3.
What are the key properties of 7-(benzimidazol-1-yl)-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine?
7-(benzimidazol-1-yl)-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine has a molecular weight of 399.45 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(benzimidazol-1-yl)-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 4911370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).