1-[[5-chloro-1-(3,3,3-trifluoropropyl)benzimidazol-2-yl]methyl]-3-methylsulfonylpyrazolo[5,4-c]pyridine

C18H15ClF3N5O2S — CID 72950811

IUPAC1-[[5-chloro-1-(3,3,3-trifluoropropyl)benzimidazol-2-yl]methyl]-3-methylsulfonylpyrazolo[5,4-c]pyridine
SMILESCS(=O)(=O)c1nn(Cc2nc3cc(Cl)ccc3n2CCC(F)(F)F)c2cnccc12
InChIInChI=1S/C18H15ClF3N5O2S/c1-30(28,29)17-12-4-6-23-9-15(12)27(25-17)10-16-24-13-8-11(19)2-3-14(13)26(16)7-5-18(20,21)22/h2-4,6,8-9H,5,7,10H2,1H3
InChIKeyFRIWQLZYNOSZMX-UHFFFAOYSA-N
MW457.87 g/mol
LogP3.84
Rot. Bonds5

About 1-[[5-chloro-1-(3,3,3-trifluoropropyl)benzimidazol-2-yl]methyl]-3-methylsulfonylpyrazolo[5,4-c]pyridine

1-[[5-chloro-1-(3,3,3-trifluoropropyl)benzimidazol-2-yl]methyl]-3-methylsulfonylpyrazolo[5,4-c]pyridine (PubChem CID 72950811) has the molecular formula C18H15ClF3N5O2S and a molecular weight of 457.87 g/mol. Its IUPAC name is 1-[[5-chloro-1-(3,3,3-trifluoropropyl)benzimidazol-2-yl]methyl]-3-methylsulfonylpyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name1-[[5-chloro-1-(3,3,3-trifluoropropyl)benzimidazol-2-yl]methyl]-3-methylsulfonylpyrazolo[5,4-c]pyridine
PubChem CID72950811
Molecular FormulaC18H15ClF3N5O2S
Molecular Weight457.87 g/mol
Exact Mass457.06
IUPAC Name1-[[5-chloro-1-(3,3,3-trifluoropropyl)benzimidazol-2-yl]methyl]-3-methylsulfonylpyrazolo[5,4-c]pyridine
SMILESCS(=O)(=O)c1nn(Cc2nc3cc(Cl)ccc3n2CCC(F)(F)F)c2cnccc12
InChIInChI=1S/C18H15ClF3N5O2S/c1-30(28,29)17-12-4-6-23-9-15(12)27(25-17)10-16-24-13-8-11(19)2-3-14(13)26(16)7-5-18(20,21)22/h2-4,6,8-9H,5,7,10H2,1H3
InChIKeyFRIWQLZYNOSZMX-UHFFFAOYSA-N
XLogP3.84
TPSA82.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.87
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-chloro-1-(3,3,3-trifluoropropyl)benzimidazol-2-yl]methyl]-3-methylsulfonylpyrazolo[5,4-c]pyridine?
The IUPAC name of 1-[[5-chloro-1-(3,3,3-trifluoropropyl)benzimidazol-2-yl]methyl]-3-methylsulfonylpyrazolo[5,4-c]pyridine (CID 72950811) is 1-[[5-chloro-1-(3,3,3-trifluoropropyl)benzimidazol-2-yl]methyl]-3-methylsulfonylpyrazolo[5,4-c]pyridine.
What is the SMILES notation for 1-[[5-chloro-1-(3,3,3-trifluoropropyl)benzimidazol-2-yl]methyl]-3-methylsulfonylpyrazolo[5,4-c]pyridine?
The canonical SMILES for 1-[[5-chloro-1-(3,3,3-trifluoropropyl)benzimidazol-2-yl]methyl]-3-methylsulfonylpyrazolo[5,4-c]pyridine is CS(=O)(=O)c1nn(Cc2nc3cc(Cl)ccc3n2CCC(F)(F)F)c2cnccc12.
What is the InChIKey of 1-[[5-chloro-1-(3,3,3-trifluoropropyl)benzimidazol-2-yl]methyl]-3-methylsulfonylpyrazolo[5,4-c]pyridine?
The InChIKey is FRIWQLZYNOSZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF3N5O2S/c1-30(28,29)17-12-4-6-23-9-15(12)27(25-17)10-16-24-13-8-11(19)2-3-14(13)26(16)7-5-18(20,21)22/h2-4,6,8-9H,5,7,10H2,1H3.
What are the key properties of 1-[[5-chloro-1-(3,3,3-trifluoropropyl)benzimidazol-2-yl]methyl]-3-methylsulfonylpyrazolo[5,4-c]pyridine?
1-[[5-chloro-1-(3,3,3-trifluoropropyl)benzimidazol-2-yl]methyl]-3-methylsulfonylpyrazolo[5,4-c]pyridine has a molecular weight of 457.87 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-chloro-1-(3,3,3-trifluoropropyl)benzimidazol-2-yl]methyl]-3-methylsulfonylpyrazolo[5,4-c]pyridine is sourced from PubChem (CID 72950811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).