1-(4-fluorophenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide

C20H19FN6O — CID 45137396

IUPAC1-(4-fluorophenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cnn(C)c1
InChIInChI=1S/C20H19FN6O/c1-3-18(13-8-23-26(2)12-13)25-20(28)17-9-22-11-19-16(17)10-24-27(19)15-6-4-14(21)5-7-15/h4-12,18H,3H2,1-2H3,(H,25,28)/t18-/m0/s1
InChIKeyFMXHMJSKBBZDMD-SFHVURJKSA-N
MW378.41 g/mol
LogP3.17
Rot. Bonds5

About 1-(4-fluorophenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide

1-(4-fluorophenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide (PubChem CID 45137396) has the molecular formula C20H19FN6O and a molecular weight of 378.41 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
PubChem CID45137396
Molecular FormulaC20H19FN6O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC Name1-(4-fluorophenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
SMILESCC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cnn(C)c1
InChIInChI=1S/C20H19FN6O/c1-3-18(13-8-23-26(2)12-13)25-20(28)17-9-22-11-19-16(17)10-24-27(19)15-6-4-14(21)5-7-15/h4-12,18H,3H2,1-2H3,(H,25,28)/t18-/m0/s1
InChIKeyFMXHMJSKBBZDMD-SFHVURJKSA-N
XLogP3.17
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.17
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-(1-methylpyrazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide (CID 45137396) is 1-(4-fluorophenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide is CC[C@H](NC(=O)c1cncc2c1cnn2-c1ccc(F)cc1)c1cnn(C)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
The InChIKey is FMXHMJSKBBZDMD-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19FN6O/c1-3-18(13-8-23-26(2)12-13)25-20(28)17-9-22-11-19-16(17)10-24-27(19)15-6-4-14(21)5-7-15/h4-12,18H,3H2,1-2H3,(H,25,28)/t18-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide?
1-(4-fluorophenyl)-N-[(1S)-1-(1-methylpyrazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 3.17, 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-(1-methylpyrazol-4-yl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide is sourced from PubChem (CID 45137396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).