N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide

C22H19FN6O4S — CID 59278315

IUPACN-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCS(=O)(=O)c1cc([C@H](CC(N)=O)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1
InChIInChI=1S/C22H19FN6O4S/c1-34(32,33)21-8-13(6-7-26-21)18(9-20(24)30)28-22(31)17-10-25-12-19-16(17)11-27-29(19)15-4-2-14(23)3-5-15/h2-8,10-12,18H,9H2,1H3,(H2,24,30)(H,28,31)/t18-/m0/s1
InChIKeyATALZQFIVBYJEV-SFHVURJKSA-N
MW482.50 g/mol
LogP1.70
Rot. Bonds7

About N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide

N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 59278315) has the molecular formula C22H19FN6O4S and a molecular weight of 482.50 g/mol. Its IUPAC name is N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID59278315
Molecular FormulaC22H19FN6O4S
Molecular Weight482.50 g/mol
Exact Mass482.12
IUPAC NameN-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCS(=O)(=O)c1cc([C@H](CC(N)=O)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1
InChIInChI=1S/C22H19FN6O4S/c1-34(32,33)21-8-13(6-7-26-21)18(9-20(24)30)28-22(31)17-10-25-12-19-16(17)11-27-29(19)15-4-2-14(23)3-5-15/h2-8,10-12,18H,9H2,1H3,(H2,24,30)(H,28,31)/t18-/m0/s1
InChIKeyATALZQFIVBYJEV-SFHVURJKSA-N
XLogP1.70
TPSA149.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.50
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (CID 59278315) is N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is CS(=O)(=O)c1cc([C@H](CC(N)=O)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1.
What is the InChIKey of N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is ATALZQFIVBYJEV-SFHVURJKSA-N. The full InChI is InChI=1S/C22H19FN6O4S/c1-34(32,33)21-8-13(6-7-26-21)18(9-20(24)30)28-22(31)17-10-25-12-19-16(17)11-27-29(19)15-4-2-14(23)3-5-15/h2-8,10-12,18H,9H2,1H3,(H2,24,30)(H,28,31)/t18-/m0/s1.
What are the key properties of N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 482.50 g/mol, XLogP of 1.70, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)-3-oxopropyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 59278315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).