1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C22H20FN5O4S — CID 59278169

IUPAC1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCOc1cc([C@H](C)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc(S(C)(=O)=O)n1
InChIInChI=1S/C22H20FN5O4S/c1-13(14-8-20(32-2)27-21(9-14)33(3,30)31)26-22(29)18-10-24-12-19-17(18)11-25-28(19)16-6-4-15(23)5-7-16/h4-13H,1-3H3,(H,26,29)/t13-/m0/s1
InChIKeyBCFGWHNXQSTDQN-ZDUSSCGKSA-N
MW469.50 g/mol
LogP2.86
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 59278169) has the molecular formula C22H20FN5O4S and a molecular weight of 469.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID59278169
Molecular FormulaC22H20FN5O4S
Molecular Weight469.50 g/mol
Exact Mass469.12
IUPAC Name1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCOc1cc([C@H](C)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc(S(C)(=O)=O)n1
InChIInChI=1S/C22H20FN5O4S/c1-13(14-8-20(32-2)27-21(9-14)33(3,30)31)26-22(29)18-10-24-12-19-17(18)11-25-28(19)16-6-4-15(23)5-7-16/h4-13H,1-3H3,(H,26,29)/t13-/m0/s1
InChIKeyBCFGWHNXQSTDQN-ZDUSSCGKSA-N
XLogP2.86
TPSA116.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 59278169) is 1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide is COc1cc([C@H](C)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc(S(C)(=O)=O)n1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is BCFGWHNXQSTDQN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C22H20FN5O4S/c1-13(14-8-20(32-2)27-21(9-14)33(3,30)31)26-22(29)18-10-24-12-19-17(18)11-25-28(19)16-6-4-15(23)5-7-16/h4-13H,1-3H3,(H,26,29)/t13-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 469.50 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(1S)-1-(2-methoxy-6-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 59278169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).