methyl 3-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-(2-methylsulfonyl-4-pyridinyl)propanoate

C23H20FN5O5S — CID 66727130

IUPACmethyl 3-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-(2-methylsulfonyl-4-pyridinyl)propanoate
SMILESCOC(=O)CC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1
InChIInChI=1S/C23H20FN5O5S/c1-34-22(30)10-19(14-7-8-26-21(9-14)35(2,32)33)28-23(31)18-11-25-13-20-17(18)12-27-29(20)16-5-3-15(24)4-6-16/h3-9,11-13,19H,10H2,1-2H3,(H,28,31)
InChIKeyHPNBULOPMFDFJG-UHFFFAOYSA-N
MW497.51 g/mol
LogP2.39
Rot. Bonds7

About methyl 3-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-(2-methylsulfonyl-4-pyridinyl)propanoate

methyl 3-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-(2-methylsulfonyl-4-pyridinyl)propanoate (PubChem CID 66727130) has the molecular formula C23H20FN5O5S and a molecular weight of 497.51 g/mol. Its IUPAC name is methyl 3-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-(2-methylsulfonyl-4-pyridinyl)propanoate.

Molecular Properties

Compound Namemethyl 3-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-(2-methylsulfonyl-4-pyridinyl)propanoate
PubChem CID66727130
Molecular FormulaC23H20FN5O5S
Molecular Weight497.51 g/mol
Exact Mass497.12
IUPAC Namemethyl 3-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-(2-methylsulfonyl-4-pyridinyl)propanoate
SMILESCOC(=O)CC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1
InChIInChI=1S/C23H20FN5O5S/c1-34-22(30)10-19(14-7-8-26-21(9-14)35(2,32)33)28-23(31)18-11-25-13-20-17(18)12-27-29(20)16-5-3-15(24)4-6-16/h3-9,11-13,19H,10H2,1-2H3,(H,28,31)
InChIKeyHPNBULOPMFDFJG-UHFFFAOYSA-N
XLogP2.39
TPSA133.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.51
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-(2-methylsulfonyl-4-pyridinyl)propanoate?
The IUPAC name of methyl 3-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-(2-methylsulfonyl-4-pyridinyl)propanoate (CID 66727130) is methyl 3-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-(2-methylsulfonyl-4-pyridinyl)propanoate.
What is the SMILES notation for methyl 3-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-(2-methylsulfonyl-4-pyridinyl)propanoate?
The canonical SMILES for methyl 3-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-(2-methylsulfonyl-4-pyridinyl)propanoate is COC(=O)CC(NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1ccnc(S(C)(=O)=O)c1.
What is the InChIKey of methyl 3-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-(2-methylsulfonyl-4-pyridinyl)propanoate?
The InChIKey is HPNBULOPMFDFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O5S/c1-34-22(30)10-19(14-7-8-26-21(9-14)35(2,32)33)28-23(31)18-11-25-13-20-17(18)12-27-29(20)16-5-3-15(24)4-6-16/h3-9,11-13,19H,10H2,1-2H3,(H,28,31).
What are the key properties of methyl 3-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-(2-methylsulfonyl-4-pyridinyl)propanoate?
methyl 3-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-(2-methylsulfonyl-4-pyridinyl)propanoate has a molecular weight of 497.51 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-(2-methylsulfonyl-4-pyridinyl)propanoate is sourced from PubChem (CID 66727130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).