1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide

C22H24FN5O3S — CID 57405261

IUPAC1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
SMILESCC[C@H](NC(=O)N1CCCc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1
InChIInChI=1S/C22H24FN5O3S/c1-3-18(15-10-11-24-21(13-15)32(2,30)31)26-22(29)27-12-4-5-19-20(27)14-25-28(19)17-8-6-16(23)7-9-17/h6-11,13-14,18H,3-5,12H2,1-2H3,(H,26,29)/t18-/m0/s1
InChIKeyYVTDNCCTIZRHTG-SFHVURJKSA-N
MW457.53 g/mol
LogP3.42
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide (PubChem CID 57405261) has the molecular formula C22H24FN5O3S and a molecular weight of 457.53 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
PubChem CID57405261
Molecular FormulaC22H24FN5O3S
Molecular Weight457.53 g/mol
Exact Mass457.16
IUPAC Name1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
SMILESCC[C@H](NC(=O)N1CCCc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1
InChIInChI=1S/C22H24FN5O3S/c1-3-18(15-10-11-24-21(13-15)32(2,30)31)26-22(29)27-12-4-5-19-20(27)14-25-28(19)17-8-6-16(23)7-9-17/h6-11,13-14,18H,3-5,12H2,1-2H3,(H,26,29)/t18-/m0/s1
InChIKeyYVTDNCCTIZRHTG-SFHVURJKSA-N
XLogP3.42
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.42
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-(2-methylsulfonyl-4-pyridinyl)propyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide (CID 57405261) is 1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide is CC[C@H](NC(=O)N1CCCc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
The InChIKey is YVTDNCCTIZRHTG-SFHVURJKSA-N. The full InChI is InChI=1S/C22H24FN5O3S/c1-3-18(15-10-11-24-21(13-15)32(2,30)31)26-22(29)27-12-4-5-19-20(27)14-25-28(19)17-8-6-16(23)7-9-17/h6-11,13-14,18H,3-5,12H2,1-2H3,(H,26,29)/t18-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)propyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 3.42, 5 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-(2-methylsulfonyl-4-pyridinyl)propyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide is sourced from PubChem (CID 57405261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).