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

C22H24FN5O3S — CID 57405258

IUPAC1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
SMILESCC1CCc2c(cnn2-c2ccc(F)cc2)N1C(=O)N[C@@H](C)c1ccnc(S(C)(=O)=O)c1
InChIInChI=1S/C22H24FN5O3S/c1-14-4-9-19-20(13-25-28(19)18-7-5-17(23)6-8-18)27(14)22(29)26-15(2)16-10-11-24-21(12-16)32(3,30)31/h5-8,10-15H,4,9H2,1-3H3,(H,26,29)/t14?,15-/m0/s1
InChIKeyFYLPOOFNBMGRFN-LOACHALJSA-N
MW457.53 g/mol
LogP3.42
Rot. Bonds4

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

1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide (PubChem CID 57405258) has the molecular formula C22H24FN5O3S and a molecular weight of 457.53 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
PubChem CID57405258
Molecular FormulaC22H24FN5O3S
Molecular Weight457.53 g/mol
Exact Mass457.16
IUPAC Name1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
SMILESCC1CCc2c(cnn2-c2ccc(F)cc2)N1C(=O)N[C@@H](C)c1ccnc(S(C)(=O)=O)c1
InChIInChI=1S/C22H24FN5O3S/c1-14-4-9-19-20(13-25-28(19)18-7-5-17(23)6-8-18)27(14)22(29)26-15(2)16-10-11-24-21(12-16)32(3,30)31/h5-8,10-15H,4,9H2,1-3H3,(H,26,29)/t14?,15-/m0/s1
InChIKeyFYLPOOFNBMGRFN-LOACHALJSA-N
XLogP3.42
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
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)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide (CID 57405258) is 1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide is CC1CCc2c(cnn2-c2ccc(F)cc2)N1C(=O)N[C@@H](C)c1ccnc(S(C)(=O)=O)c1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
The InChIKey is FYLPOOFNBMGRFN-LOACHALJSA-N. The full InChI is InChI=1S/C22H24FN5O3S/c1-14-4-9-19-20(13-25-28(19)18-7-5-17(23)6-8-18)27(14)22(29)26-15(2)16-10-11-24-21(12-16)32(3,30)31/h5-8,10-15H,4,9H2,1-3H3,(H,26,29)/t14?,15-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide has a molecular weight of 457.53 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-N-[(1S)-1-(2-methylsulfonyl-4-pyridinyl)ethyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide is sourced from PubChem (CID 57405258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).