1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide

C23H26FN5O3S — CID 57405102

IUPAC1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
SMILESCCC[C@H](NC(=O)N1CCCc2c1cnn2-c1ccc(F)cc1)c1ccc(S(C)(=O)=O)nc1
InChIInChI=1S/C23H26FN5O3S/c1-3-5-19(16-7-12-22(25-14-16)33(2,31)32)27-23(30)28-13-4-6-20-21(28)15-26-29(20)18-10-8-17(24)9-11-18/h7-12,14-15,19H,3-6,13H2,1-2H3,(H,27,30)/t19-/m0/s1
InChIKeyAGZLSEHFVXPQJZ-IBGZPJMESA-N
MW471.56 g/mol
LogP3.81
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide (PubChem CID 57405102) has the molecular formula C23H26FN5O3S and a molecular weight of 471.56 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
PubChem CID57405102
Molecular FormulaC23H26FN5O3S
Molecular Weight471.56 g/mol
Exact Mass471.17
IUPAC Name1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
SMILESCCC[C@H](NC(=O)N1CCCc2c1cnn2-c1ccc(F)cc1)c1ccc(S(C)(=O)=O)nc1
InChIInChI=1S/C23H26FN5O3S/c1-3-5-19(16-7-12-22(25-14-16)33(2,31)32)27-23(30)28-13-4-6-20-21(28)15-26-29(20)18-10-8-17(24)9-11-18/h7-12,14-15,19H,3-6,13H2,1-2H3,(H,27,30)/t19-/m0/s1
InChIKeyAGZLSEHFVXPQJZ-IBGZPJMESA-N
XLogP3.81
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide (CID 57405102) is 1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide is CCC[C@H](NC(=O)N1CCCc2c1cnn2-c1ccc(F)cc1)c1ccc(S(C)(=O)=O)nc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
The InChIKey is AGZLSEHFVXPQJZ-IBGZPJMESA-N. The full InChI is InChI=1S/C23H26FN5O3S/c1-3-5-19(16-7-12-22(25-14-16)33(2,31)32)27-23(30)28-13-4-6-20-21(28)15-26-29(20)18-10-8-17(24)9-11-18/h7-12,14-15,19H,3-6,13H2,1-2H3,(H,27,30)/t19-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide has a molecular weight of 471.56 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(1S)-1-(6-methylsulfonyl-3-pyridinyl)butyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide is sourced from PubChem (CID 57405102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).