1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonylthiophen-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C21H19FN4O3S2 — CID 45102641

IUPAC1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonylthiophen-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cc(S(C)(=O)=O)cs1
InChIInChI=1S/C21H19FN4O3S2/c1-3-18(20-8-15(12-30-20)31(2,28)29)25-21(27)17-9-23-11-19-16(17)10-24-26(19)14-6-4-13(22)5-7-14/h4-12,18H,3H2,1-2H3,(H,25,27)/t18-/m0/s1
InChIKeyGTVLEKIMKFWOEH-SFHVURJKSA-N
MW458.54 g/mol
LogP3.91
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonylthiophen-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonylthiophen-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 45102641) has the molecular formula C21H19FN4O3S2 and a molecular weight of 458.54 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonylthiophen-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonylthiophen-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID45102641
Molecular FormulaC21H19FN4O3S2
Molecular Weight458.54 g/mol
Exact Mass458.09
IUPAC Name1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonylthiophen-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cc(S(C)(=O)=O)cs1
InChIInChI=1S/C21H19FN4O3S2/c1-3-18(20-8-15(12-30-20)31(2,28)29)25-21(27)17-9-23-11-19-16(17)10-24-26(19)14-6-4-13(22)5-7-14/h4-12,18H,3H2,1-2H3,(H,25,27)/t18-/m0/s1
InChIKeyGTVLEKIMKFWOEH-SFHVURJKSA-N
XLogP3.91
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 53.91
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-[(1S)-1-(4-methylsulfonylthiophen-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonylthiophen-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 45102641) is 1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonylthiophen-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonylthiophen-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonylthiophen-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide is CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cc(S(C)(=O)=O)cs1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonylthiophen-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is GTVLEKIMKFWOEH-SFHVURJKSA-N. The full InChI is InChI=1S/C21H19FN4O3S2/c1-3-18(20-8-15(12-30-20)31(2,28)29)25-21(27)17-9-23-11-19-16(17)10-24-26(19)14-6-4-13(22)5-7-14/h4-12,18H,3H2,1-2H3,(H,25,27)/t18-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonylthiophen-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonylthiophen-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 458.54 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonylthiophen-2-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 45102641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).