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

C19H20ClN5O4S2 — CID 72950145

IUPAC1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-methylsulfonylpyrazolo[5,4-c]pyridine
SMILESCS(=O)(=O)CCCn1c(Cn2nc(S(C)(=O)=O)c3ccncc32)nc2cc(Cl)ccc21
InChIInChI=1S/C19H20ClN5O4S2/c1-30(26,27)9-3-8-24-16-5-4-13(20)10-15(16)22-18(24)12-25-17-11-21-7-6-14(17)19(23-25)31(2,28)29/h4-7,10-11H,3,8-9,12H2,1-2H3
InChIKeyCKZJUYRQRNRQHH-UHFFFAOYSA-N
MW481.99 g/mol
LogP2.32
Rot. Bonds7

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

1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-methylsulfonylpyrazolo[5,4-c]pyridine (PubChem CID 72950145) has the molecular formula C19H20ClN5O4S2 and a molecular weight of 481.99 g/mol. Its IUPAC name is 1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-methylsulfonylpyrazolo[5,4-c]pyridine.

Molecular Properties

Compound Name1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-methylsulfonylpyrazolo[5,4-c]pyridine
PubChem CID72950145
Molecular FormulaC19H20ClN5O4S2
Molecular Weight481.99 g/mol
Exact Mass481.06
IUPAC Name1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-methylsulfonylpyrazolo[5,4-c]pyridine
SMILESCS(=O)(=O)CCCn1c(Cn2nc(S(C)(=O)=O)c3ccncc32)nc2cc(Cl)ccc21
InChIInChI=1S/C19H20ClN5O4S2/c1-30(26,27)9-3-8-24-16-5-4-13(20)10-15(16)22-18(24)12-25-17-11-21-7-6-14(17)19(23-25)31(2,28)29/h4-7,10-11H,3,8-9,12H2,1-2H3
InChIKeyCKZJUYRQRNRQHH-UHFFFAOYSA-N
XLogP2.32
TPSA116.81 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.99
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-methylsulfonylpyrazolo[5,4-c]pyridine with MolForge

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Related Compounds

CID 72710836
CID 72710836
CID 72948357
CID 72948357
CID 72948536
CID 72948536
CID 72948537
CID 72948537
CID 72948540
CID 72948540
CID 72948541
CID 72948541
CID 72948717
CID 72948717
CID 72949972
CID 72949972
CID 72949973
CID 72949973
CID 72949974
CID 72949974
CID 72949975
CID 72949975
CID 72950141
CID 72950141

Frequently Asked Questions

What is the IUPAC name of 1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-methylsulfonylpyrazolo[5,4-c]pyridine?
The IUPAC name of 1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-methylsulfonylpyrazolo[5,4-c]pyridine (CID 72950145) is 1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-methylsulfonylpyrazolo[5,4-c]pyridine.
What is the SMILES notation for 1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-methylsulfonylpyrazolo[5,4-c]pyridine?
The canonical SMILES for 1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-methylsulfonylpyrazolo[5,4-c]pyridine is CS(=O)(=O)CCCn1c(Cn2nc(S(C)(=O)=O)c3ccncc32)nc2cc(Cl)ccc21.
What is the InChIKey of 1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-methylsulfonylpyrazolo[5,4-c]pyridine?
The InChIKey is CKZJUYRQRNRQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O4S2/c1-30(26,27)9-3-8-24-16-5-4-13(20)10-15(16)22-18(24)12-25-17-11-21-7-6-14(17)19(23-25)31(2,28)29/h4-7,10-11H,3,8-9,12H2,1-2H3.
What are the key properties of 1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-methylsulfonylpyrazolo[5,4-c]pyridine?
1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-methylsulfonylpyrazolo[5,4-c]pyridine has a molecular weight of 481.99 g/mol, XLogP of 2.32, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-3-methylsulfonylpyrazolo[5,4-c]pyridine is sourced from PubChem (CID 72950145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).