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

C23H20Cl2FN5 — CID 135843801

IUPAC7-(3,4-dichlorophenyl)-6-(5-fluoro-1-propylbenzimidazol-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCCCn1c(C2=C(C)Nc3ccnn3C2c2ccc(Cl)c(Cl)c2)nc2cc(F)ccc21
InChIInChI=1S/C23H20Cl2FN5/c1-3-10-30-19-7-5-15(26)12-18(19)29-23(30)21-13(2)28-20-8-9-27-31(20)22(21)14-4-6-16(24)17(25)11-14/h4-9,11-12,22,28H,3,10H2,1-2H3
InChIKeyQSHQFEMPFAZWAJ-UHFFFAOYSA-N
MW456.35 g/mol
LogP6.53
Rot. Bonds4

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

7-(3,4-dichlorophenyl)-6-(5-fluoro-1-propylbenzimidazol-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine (PubChem CID 135843801) has the molecular formula C23H20Cl2FN5 and a molecular weight of 456.35 g/mol. Its IUPAC name is 7-(3,4-dichlorophenyl)-6-(5-fluoro-1-propylbenzimidazol-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(3,4-dichlorophenyl)-6-(5-fluoro-1-propylbenzimidazol-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
PubChem CID135843801
Molecular FormulaC23H20Cl2FN5
Molecular Weight456.35 g/mol
Exact Mass455.11
IUPAC Name7-(3,4-dichlorophenyl)-6-(5-fluoro-1-propylbenzimidazol-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
SMILESCCCn1c(C2=C(C)Nc3ccnn3C2c2ccc(Cl)c(Cl)c2)nc2cc(F)ccc21
InChIInChI=1S/C23H20Cl2FN5/c1-3-10-30-19-7-5-15(26)12-18(19)29-23(30)21-13(2)28-20-8-9-27-31(20)22(21)14-4-6-16(24)17(25)11-14/h4-9,11-12,22,28H,3,10H2,1-2H3
InChIKeyQSHQFEMPFAZWAJ-UHFFFAOYSA-N
XLogP6.53
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.35
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
CID 132166923
1-[(3P)-3-(3-chloro-2-fluorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
CID 132166959
3-(4-chlorophenyl)-N-[3-(1H-imidazol-1-yl)propyl]-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 3804160
3-[[5-[(3,4-dichlorophenyl)methyl]-4-[3-(1H-imidazol-5-yl)propyl]-1,2,4-triazol-3-yl]methyl]-6-fluoro-1H-indole
CID 168275406
3-(4-chlorophenyl)-N-[3-(1H-imidazol-1-yl)propyl]-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4886402
N-(2-chloro-4-fluorobenzyl)-2,3-dimethyl-6-(1H-1,2,4-triazol-1-yl)imidazo[1,2-a]pyridin-8-amine
CID 44583632
8-Chloro-2-methyl-5-(2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl)pyrazolo[1,5-c]quinazoline
CID 53317313
9-Chloro-2-methyl-5-(2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl)pyrazolo[1,5-c]quinazoline
CID 53323880
1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methyl-6-[(3R,4S)-3-methyl-4-pyrrolidin-1-ylpiperidin-1-yl]pyrazolo[3,4-b]pyrazine
CID 134325215
7-(3,4-Dichlorophenyl)-6-(5-fluoro-1-methylbenzimidazol-2-yl)-5-(methoxymethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
CID 135843672
7-(3,4-Dichlorophenyl)-5-methyl-6-(1-methylbenzimidazol-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine
CID 135843728
7-(3,4-Dichlorophenyl)-6-(5-fluoro-1-methylbenzimidazol-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine
CID 135843751

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dichlorophenyl)-6-(5-fluoro-1-propylbenzimidazol-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(3,4-dichlorophenyl)-6-(5-fluoro-1-propylbenzimidazol-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine (CID 135843801) is 7-(3,4-dichlorophenyl)-6-(5-fluoro-1-propylbenzimidazol-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-propylbenzimidazol-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(3,4-dichlorophenyl)-6-(5-fluoro-1-propylbenzimidazol-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine is CCCn1c(C2=C(C)Nc3ccnn3C2c2ccc(Cl)c(Cl)c2)nc2cc(F)ccc21.
What is the InChIKey of 7-(3,4-dichlorophenyl)-6-(5-fluoro-1-propylbenzimidazol-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine?
The InChIKey is QSHQFEMPFAZWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2FN5/c1-3-10-30-19-7-5-15(26)12-18(19)29-23(30)21-13(2)28-20-8-9-27-31(20)22(21)14-4-6-16(24)17(25)11-14/h4-9,11-12,22,28H,3,10H2,1-2H3.
What are the key properties of 7-(3,4-dichlorophenyl)-6-(5-fluoro-1-propylbenzimidazol-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine?
7-(3,4-dichlorophenyl)-6-(5-fluoro-1-propylbenzimidazol-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine has a molecular weight of 456.35 g/mol, XLogP of 6.53, 4 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-propylbenzimidazol-2-yl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 135843801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).