1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C21H18FN5O4S — CID 59278097

IUPAC1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCS(=O)(=O)c1cc([C@H](CO)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1
InChIInChI=1S/C21H18FN5O4S/c1-32(30,31)20-8-13(6-7-24-20)18(12-28)26-21(29)17-9-23-11-19-16(17)10-25-27(19)15-4-2-14(22)3-5-15/h2-11,18,28H,12H2,1H3,(H,26,29)/t18-/m0/s1
InChIKeyDXEVHUOFRRNRLF-SFHVURJKSA-N
MW455.47 g/mol
LogP1.82
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 59278097) has the molecular formula C21H18FN5O4S and a molecular weight of 455.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID59278097
Molecular FormulaC21H18FN5O4S
Molecular Weight455.47 g/mol
Exact Mass455.11
IUPAC Name1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCS(=O)(=O)c1cc([C@H](CO)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1
InChIInChI=1S/C21H18FN5O4S/c1-32(30,31)20-8-13(6-7-24-20)18(12-28)26-21(29)17-9-23-11-19-16(17)10-25-27(19)15-4-2-14(22)3-5-15/h2-11,18,28H,12H2,1H3,(H,26,29)/t18-/m0/s1
InChIKeyDXEVHUOFRRNRLF-SFHVURJKSA-N
XLogP1.82
TPSA127.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 59278097) is 1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide is CS(=O)(=O)c1cc([C@H](CO)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is DXEVHUOFRRNRLF-SFHVURJKSA-N. The full InChI is InChI=1S/C21H18FN5O4S/c1-32(30,31)20-8-13(6-7-24-20)18(12-28)26-21(29)17-9-23-11-19-16(17)10-25-27(19)15-4-2-14(22)3-5-15/h2-11,18,28H,12H2,1H3,(H,26,29)/t18-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 455.47 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(1R)-2-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 59278097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).