N-[(1S)-1-(2-ethenyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide

C23H20FN5O — CID 58222747

IUPACN-[(1S)-1-(2-ethenyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESC=Cc1cc([C@H](CC)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1
InChIInChI=1S/C23H20FN5O/c1-3-17-11-15(9-10-26-17)21(4-2)28-23(30)20-12-25-14-22-19(20)13-27-29(22)18-7-5-16(24)6-8-18/h3,5-14,21H,1,4H2,2H3,(H,28,30)/t21-/m0/s1
InChIKeySEWGSIIUEURVEV-NRFANRHFSA-N
MW401.45 g/mol
LogP4.48
Rot. Bonds6

About N-[(1S)-1-(2-ethenyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide

N-[(1S)-1-(2-ethenyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 58222747) has the molecular formula C23H20FN5O and a molecular weight of 401.45 g/mol. Its IUPAC name is N-[(1S)-1-(2-ethenyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-ethenyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID58222747
Molecular FormulaC23H20FN5O
Molecular Weight401.45 g/mol
Exact Mass401.17
IUPAC NameN-[(1S)-1-(2-ethenyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESC=Cc1cc([C@H](CC)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1
InChIInChI=1S/C23H20FN5O/c1-3-17-11-15(9-10-26-17)21(4-2)28-23(30)20-12-25-14-22-19(20)13-27-29(22)18-7-5-16(24)6-8-18/h3,5-14,21H,1,4H2,2H3,(H,28,30)/t21-/m0/s1
InChIKeySEWGSIIUEURVEV-NRFANRHFSA-N
XLogP4.48
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-ethenyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of N-[(1S)-1-(2-ethenyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide (CID 58222747) is N-[(1S)-1-(2-ethenyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2-ethenyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(2-ethenyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is C=Cc1cc([C@H](CC)NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)ccn1.
What is the InChIKey of N-[(1S)-1-(2-ethenyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is SEWGSIIUEURVEV-NRFANRHFSA-N. The full InChI is InChI=1S/C23H20FN5O/c1-3-17-11-15(9-10-26-17)21(4-2)28-23(30)20-12-25-14-22-19(20)13-27-29(22)18-7-5-16(24)6-8-18/h3,5-14,21H,1,4H2,2H3,(H,28,30)/t21-/m0/s1.
What are the key properties of N-[(1S)-1-(2-ethenyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide?
N-[(1S)-1-(2-ethenyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 401.45 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-ethenyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 58222747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).