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

C22H20FN5O4S — CID 59278400

IUPAC1-(4-fluorophenyl)-N-[(1R)-2-methoxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCOC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1
InChIInChI=1S/C22H20FN5O4S/c1-32-13-19(14-7-8-25-21(9-14)33(2,30)31)27-22(29)18-10-24-12-20-17(18)11-26-28(20)16-5-3-15(23)4-6-16/h3-12,19H,13H2,1-2H3,(H,27,29)/t19-/m0/s1
InChIKeyPZFTZRONMDUCIW-IBGZPJMESA-N
MW469.50 g/mol
LogP2.48
Rot. Bonds7

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

1-(4-fluorophenyl)-N-[(1R)-2-methoxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 59278400) has the molecular formula C22H20FN5O4S and a molecular weight of 469.50 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1R)-2-methoxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1R)-2-methoxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID59278400
Molecular FormulaC22H20FN5O4S
Molecular Weight469.50 g/mol
Exact Mass469.12
IUPAC Name1-(4-fluorophenyl)-N-[(1R)-2-methoxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCOC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1
InChIInChI=1S/C22H20FN5O4S/c1-32-13-19(14-7-8-25-21(9-14)33(2,30)31)27-22(29)18-10-24-12-20-17(18)11-26-28(20)16-5-3-15(23)4-6-16/h3-12,19H,13H2,1-2H3,(H,27,29)/t19-/m0/s1
InChIKeyPZFTZRONMDUCIW-IBGZPJMESA-N
XLogP2.48
TPSA116.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 52.48
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-[(1R)-2-methoxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1R)-2-methoxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 59278400) is 1-(4-fluorophenyl)-N-[(1R)-2-methoxy-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-methoxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1R)-2-methoxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide is COC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1R)-2-methoxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is PZFTZRONMDUCIW-IBGZPJMESA-N. The full InChI is InChI=1S/C22H20FN5O4S/c1-32-13-19(14-7-8-25-21(9-14)33(2,30)31)27-22(29)18-10-24-12-20-17(18)11-26-28(20)16-5-3-15(23)4-6-16/h3-12,19H,13H2,1-2H3,(H,27,29)/t19-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(1R)-2-methoxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[(1R)-2-methoxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 469.50 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(1R)-2-methoxy-1-(2-methylsulfonyl-4-pyridinyl)ethyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 59278400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).