N-[[4-[1-(4-fluorophenyl)pyrazol-4-yl]sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide

C24H18FN5O3S — CID 163619942

IUPACN-[[4-[1-(4-fluorophenyl)pyrazol-4-yl]sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cnn(-c3ccc(F)cc3)c2)cc1)C1C=c2cnccc2=N1
InChIInChI=1S/C24H18FN5O3S/c25-18-3-5-19(6-4-18)30-15-21(14-28-30)34(32,33)20-7-1-16(2-8-20)12-27-24(31)23-11-17-13-26-10-9-22(17)29-23/h1-11,13-15,23H,12H2,(H,27,31)
InChIKeyHNFHRXNWIMLBEQ-UHFFFAOYSA-N
MW475.51 g/mol
LogP1.34
Rot. Bonds6

About N-[[4-[1-(4-fluorophenyl)pyrazol-4-yl]sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide

N-[[4-[1-(4-fluorophenyl)pyrazol-4-yl]sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide (PubChem CID 163619942) has the molecular formula C24H18FN5O3S and a molecular weight of 475.51 g/mol. Its IUPAC name is N-[[4-[1-(4-fluorophenyl)pyrazol-4-yl]sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[1-(4-fluorophenyl)pyrazol-4-yl]sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide
PubChem CID163619942
Molecular FormulaC24H18FN5O3S
Molecular Weight475.51 g/mol
Exact Mass475.11
IUPAC NameN-[[4-[1-(4-fluorophenyl)pyrazol-4-yl]sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)c2cnn(-c3ccc(F)cc3)c2)cc1)C1C=c2cnccc2=N1
InChIInChI=1S/C24H18FN5O3S/c25-18-3-5-19(6-4-18)30-15-21(14-28-30)34(32,33)20-7-1-16(2-8-20)12-27-24(31)23-11-17-13-26-10-9-22(17)29-23/h1-11,13-15,23H,12H2,(H,27,31)
InChIKeyHNFHRXNWIMLBEQ-UHFFFAOYSA-N
XLogP1.34
TPSA106.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.51
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[1-(4-fluorophenyl)pyrazol-4-yl]sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-[[4-[1-(4-fluorophenyl)pyrazol-4-yl]sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide (CID 163619942) is N-[[4-[1-(4-fluorophenyl)pyrazol-4-yl]sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-[1-(4-fluorophenyl)pyrazol-4-yl]sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-[1-(4-fluorophenyl)pyrazol-4-yl]sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide is O=C(NCc1ccc(S(=O)(=O)c2cnn(-c3ccc(F)cc3)c2)cc1)C1C=c2cnccc2=N1.
What is the InChIKey of N-[[4-[1-(4-fluorophenyl)pyrazol-4-yl]sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide?
The InChIKey is HNFHRXNWIMLBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O3S/c25-18-3-5-19(6-4-18)30-15-21(14-28-30)34(32,33)20-7-1-16(2-8-20)12-27-24(31)23-11-17-13-26-10-9-22(17)29-23/h1-11,13-15,23H,12H2,(H,27,31).
What are the key properties of N-[[4-[1-(4-fluorophenyl)pyrazol-4-yl]sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide?
N-[[4-[1-(4-fluorophenyl)pyrazol-4-yl]sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide has a molecular weight of 475.51 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[1-(4-fluorophenyl)pyrazol-4-yl]sulfonylphenyl]methyl]-2H-pyrrolo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 163619942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).