7-(3,4-dichlorophenyl)-6-(5-fluoro-1-methylbenzimidazol-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine

C21H16Cl2FN5 — CID 135843751

IUPAC7-(3,4-dichlorophenyl)-6-(5-fluoro-1-methylbenzimidazol-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCC1=C(c2nc3cc(F)ccc3n2C)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1
InChIInChI=1S/C21H16Cl2FN5/c1-11-19(21-27-16-10-13(24)4-6-17(16)28(21)2)20(29-18(26-11)7-8-25-29)12-3-5-14(22)15(23)9-12/h3-10,20,26H,1-2H3
InChIKeyGSXVIOPVSCTVSK-UHFFFAOYSA-N
MW428.30 g/mol
LogP5.66
Rot. Bonds2

About 7-(3,4-dichlorophenyl)-6-(5-fluoro-1-methylbenzimidazol-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine

7-(3,4-dichlorophenyl)-6-(5-fluoro-1-methylbenzimidazol-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine (PubChem CID 135843751) has the molecular formula C21H16Cl2FN5 and a molecular weight of 428.30 g/mol. Its IUPAC name is 7-(3,4-dichlorophenyl)-6-(5-fluoro-1-methylbenzimidazol-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3,4-dichlorophenyl)-6-(5-fluoro-1-methylbenzimidazol-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
PubChem CID135843751
Molecular FormulaC21H16Cl2FN5
Molecular Weight428.30 g/mol
Exact Mass427.08
IUPAC Name7-(3,4-dichlorophenyl)-6-(5-fluoro-1-methylbenzimidazol-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCC1=C(c2nc3cc(F)ccc3n2C)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1
InChIInChI=1S/C21H16Cl2FN5/c1-11-19(21-27-16-10-13(24)4-6-17(16)28(21)2)20(29-18(26-11)7-8-25-29)12-3-5-14(22)15(23)9-12/h3-10,20,26H,1-2H3
InChIKeyGSXVIOPVSCTVSK-UHFFFAOYSA-N
XLogP5.66
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.30
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dichlorophenyl)-6-(5-fluoro-1-methylbenzimidazol-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3,4-dichlorophenyl)-6-(5-fluoro-1-methylbenzimidazol-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine (CID 135843751) is 7-(3,4-dichlorophenyl)-6-(5-fluoro-1-methylbenzimidazol-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(3,4-dichlorophenyl)-6-(5-fluoro-1-methylbenzimidazol-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3,4-dichlorophenyl)-6-(5-fluoro-1-methylbenzimidazol-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine is CC1=C(c2nc3cc(F)ccc3n2C)C(c2ccc(Cl)c(Cl)c2)n2nccc2N1.
What is the InChIKey of 7-(3,4-dichlorophenyl)-6-(5-fluoro-1-methylbenzimidazol-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine?
The InChIKey is GSXVIOPVSCTVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2FN5/c1-11-19(21-27-16-10-13(24)4-6-17(16)28(21)2)20(29-18(26-11)7-8-25-29)12-3-5-14(22)15(23)9-12/h3-10,20,26H,1-2H3.
What are the key properties of 7-(3,4-dichlorophenyl)-6-(5-fluoro-1-methylbenzimidazol-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine?
7-(3,4-dichlorophenyl)-6-(5-fluoro-1-methylbenzimidazol-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine has a molecular weight of 428.30 g/mol, XLogP of 5.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-dichlorophenyl)-6-(5-fluoro-1-methylbenzimidazol-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 135843751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).