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

C22H18FN5O3S — CID 52916803

IUPAC1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)ccn1
InChIInChI=1S/C22H18FN5O3S/c1-32(30,31)20-10-14(6-9-25-20)22(7-8-22)27-21(29)18-11-24-13-19-17(18)12-26-28(19)16-4-2-15(23)3-5-16/h2-6,9-13H,7-8H2,1H3,(H,27,29)
InChIKeyPXQATVYJKMMHAU-UHFFFAOYSA-N
MW451.48 g/mol
LogP2.78
Rot. Bonds5

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

1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 52916803) has the molecular formula C22H18FN5O3S and a molecular weight of 451.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID52916803
Molecular FormulaC22H18FN5O3S
Molecular Weight451.48 g/mol
Exact Mass451.11
IUPAC Name1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)ccn1
InChIInChI=1S/C22H18FN5O3S/c1-32(30,31)20-10-14(6-9-25-20)22(7-8-22)27-21(29)18-11-24-13-19-17(18)12-26-28(19)16-4-2-15(23)3-5-16/h2-6,9-13H,7-8H2,1H3,(H,27,29)
InChIKeyPXQATVYJKMMHAU-UHFFFAOYSA-N
XLogP2.78
TPSA106.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 52916803) is 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide is CS(=O)(=O)c1cc(C2(NC(=O)c3cncc4c3cnn4-c3ccc(F)cc3)CC2)ccn1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is PXQATVYJKMMHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O3S/c1-32(30,31)20-10-14(6-9-25-20)22(7-8-22)27-21(29)18-11-24-13-19-17(18)12-26-28(19)16-4-2-15(23)3-5-16/h2-6,9-13H,7-8H2,1H3,(H,27,29).
What are the key properties of 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 451.48 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[1-(2-methylsulfonyl-4-pyridinyl)cyclopropyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 52916803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).