N-[(2-ethylsulfonyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide

C21H18FN5O3S — CID 45138458

IUPACN-[(2-ethylsulfonyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCCS(=O)(=O)c1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1
InChIInChI=1S/C21H18FN5O3S/c1-2-31(29,30)20-9-14(7-8-24-20)10-25-21(28)18-11-23-13-19-17(18)12-26-27(19)16-5-3-15(22)4-6-16/h3-9,11-13H,2,10H2,1H3,(H,25,28)
InChIKeyRPXOERPNCNMVAU-UHFFFAOYSA-N
MW439.47 g/mol
LogP2.68
Rot. Bonds6

About N-[(2-ethylsulfonyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide

N-[(2-ethylsulfonyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 45138458) has the molecular formula C21H18FN5O3S and a molecular weight of 439.47 g/mol. Its IUPAC name is N-[(2-ethylsulfonyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-ethylsulfonyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID45138458
Molecular FormulaC21H18FN5O3S
Molecular Weight439.47 g/mol
Exact Mass439.11
IUPAC NameN-[(2-ethylsulfonyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCCS(=O)(=O)c1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1
InChIInChI=1S/C21H18FN5O3S/c1-2-31(29,30)20-9-14(7-8-24-20)10-25-21(28)18-11-23-13-19-17(18)12-26-27(19)16-5-3-15(22)4-6-16/h3-9,11-13H,2,10H2,1H3,(H,25,28)
InChIKeyRPXOERPNCNMVAU-UHFFFAOYSA-N
XLogP2.68
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylsulfonyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of N-[(2-ethylsulfonyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (CID 45138458) is N-[(2-ethylsulfonyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-ethylsulfonyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for N-[(2-ethylsulfonyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is CCS(=O)(=O)c1cc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1.
What is the InChIKey of N-[(2-ethylsulfonyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is RPXOERPNCNMVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O3S/c1-2-31(29,30)20-9-14(7-8-24-20)10-25-21(28)18-11-23-13-19-17(18)12-26-27(19)16-5-3-15(22)4-6-16/h3-9,11-13H,2,10H2,1H3,(H,25,28).
What are the key properties of N-[(2-ethylsulfonyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
N-[(2-ethylsulfonyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 439.47 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylsulfonyl-4-pyridinyl)methyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 45138458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).