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

C20H20FN5O3S — CID 57404584

IUPAC1-(4-fluorophenyl)-N-[(2-methylsulfonyl-4-pyridinyl)methyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
SMILESCS(=O)(=O)c1cc(CNC(=O)N2CCCc3c2cnn3-c2ccc(F)cc2)ccn1
InChIInChI=1S/C20H20FN5O3S/c1-30(28,29)19-11-14(8-9-22-19)12-23-20(27)25-10-2-3-17-18(25)13-24-26(17)16-6-4-15(21)5-7-16/h4-9,11,13H,2-3,10,12H2,1H3,(H,23,27)
InChIKeyGMWBFUNBXXGCLR-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.47
Rot. Bonds4

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

1-(4-fluorophenyl)-N-[(2-methylsulfonyl-4-pyridinyl)methyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide (PubChem CID 57404584) has the molecular formula C20H20FN5O3S and a molecular weight of 429.48 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(2-methylsulfonyl-4-pyridinyl)methyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(2-methylsulfonyl-4-pyridinyl)methyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
PubChem CID57404584
Molecular FormulaC20H20FN5O3S
Molecular Weight429.48 g/mol
Exact Mass429.13
IUPAC Name1-(4-fluorophenyl)-N-[(2-methylsulfonyl-4-pyridinyl)methyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide
SMILESCS(=O)(=O)c1cc(CNC(=O)N2CCCc3c2cnn3-c2ccc(F)cc2)ccn1
InChIInChI=1S/C20H20FN5O3S/c1-30(28,29)19-11-14(8-9-22-19)12-23-20(27)25-10-2-3-17-18(25)13-24-26(17)16-6-4-15(21)5-7-16/h4-9,11,13H,2-3,10,12H2,1H3,(H,23,27)
InChIKeyGMWBFUNBXXGCLR-UHFFFAOYSA-N
XLogP2.47
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.47
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-[(2-methylsulfonyl-4-pyridinyl)methyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(2-methylsulfonyl-4-pyridinyl)methyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide (CID 57404584) is 1-(4-fluorophenyl)-N-[(2-methylsulfonyl-4-pyridinyl)methyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(2-methylsulfonyl-4-pyridinyl)methyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(2-methylsulfonyl-4-pyridinyl)methyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide is CS(=O)(=O)c1cc(CNC(=O)N2CCCc3c2cnn3-c2ccc(F)cc2)ccn1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(2-methylsulfonyl-4-pyridinyl)methyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
The InChIKey is GMWBFUNBXXGCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O3S/c1-30(28,29)19-11-14(8-9-22-19)12-23-20(27)25-10-2-3-17-18(25)13-24-26(17)16-6-4-15(21)5-7-16/h4-9,11,13H,2-3,10,12H2,1H3,(H,23,27).
What are the key properties of 1-(4-fluorophenyl)-N-[(2-methylsulfonyl-4-pyridinyl)methyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[(2-methylsulfonyl-4-pyridinyl)methyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(2-methylsulfonyl-4-pyridinyl)methyl]-6,7-dihydro-5H-pyrazolo[4,5-b]pyridine-4-carboxamide is sourced from PubChem (CID 57404584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).