(1S)-N-[1-[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]ethenyl]-1-pyridin-3-ylbutan-1-amine

C23H22FN5 — CID 118680423

IUPAC(1S)-N-[1-[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]ethenyl]-1-pyridin-3-ylbutan-1-amine
SMILESC=C(N[C@@H](CCC)c1cccnc1)c1cncc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C23H22FN5/c1-3-5-22(17-6-4-11-25-12-17)28-16(2)20-13-26-15-23-21(20)14-27-29(23)19-9-7-18(24)8-10-19/h4,6-15,22,28H,2-3,5H2,1H3/t22-/m0/s1
InChIKeyVNUOIMDTWHIJJV-QFIPXVFZSA-N
MW387.46 g/mol
LogP5.06
Rot. Bonds7

About (1S)-N-[1-[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]ethenyl]-1-pyridin-3-ylbutan-1-amine

(1S)-N-[1-[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]ethenyl]-1-pyridin-3-ylbutan-1-amine (PubChem CID 118680423) has the molecular formula C23H22FN5 and a molecular weight of 387.46 g/mol. Its IUPAC name is (1S)-N-[1-[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]ethenyl]-1-pyridin-3-ylbutan-1-amine.

Molecular Properties

Compound Name(1S)-N-[1-[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]ethenyl]-1-pyridin-3-ylbutan-1-amine
PubChem CID118680423
Molecular FormulaC23H22FN5
Molecular Weight387.46 g/mol
Exact Mass387.19
IUPAC Name(1S)-N-[1-[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]ethenyl]-1-pyridin-3-ylbutan-1-amine
SMILESC=C(N[C@@H](CCC)c1cccnc1)c1cncc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C23H22FN5/c1-3-5-22(17-6-4-11-25-12-17)28-16(2)20-13-26-15-23-21(20)14-27-29(23)19-9-7-18(24)8-10-19/h4,6-15,22,28H,2-3,5H2,1H3/t22-/m0/s1
InChIKeyVNUOIMDTWHIJJV-QFIPXVFZSA-N
XLogP5.06
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.46
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(5-bromo-3-pyridinyl)butyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278424
5-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]butyl]pyridine-3-sulfonic acid
CID 59278267
4-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]pyridine-2-carboxylic acid
CID 45136967
N-[(1S)-1-(2-chloro-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45136963
N-[(1S)-1-(2-cyano-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 45136965
ethane;1-(4-fluorophenyl)-N-[(1S)-1-(2-methylsulfanyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 143965573
N-[(1S)-3-acetamido-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278299
N-[(1S)-3-amino-1-(2-methylsulfonyl-4-pyridinyl)propyl]-1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carboxamide;1-(4-fluorophenyl)-N-[(1S)-3-hydroxy-1-(2-methylsulfonyl-4-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 158469598
1-(4-fluorophenyl)-N-[(1S)-1-(3-methoxy-4-methylsulfonylphenyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278162
3-[[5-[(1S)-1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-3-pyridinyl]sulfonyl]propanoic acid
CID 59278301
1-(4-fluorophenyl)-N-[(1S)-1-(4-methylsulfonyl-2-pyridinyl)propyl]pyrazolo[5,4-c]pyridine-4-carboxamide
CID 59278500
2-[1-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]propyl]-N,5-dimethyl-1,3-oxazole-4-carboxamide
CID 45137859

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]ethenyl]-1-pyridin-3-ylbutan-1-amine?
The IUPAC name of (1S)-N-[1-[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]ethenyl]-1-pyridin-3-ylbutan-1-amine (CID 118680423) is (1S)-N-[1-[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]ethenyl]-1-pyridin-3-ylbutan-1-amine.
What is the SMILES notation for (1S)-N-[1-[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]ethenyl]-1-pyridin-3-ylbutan-1-amine?
The canonical SMILES for (1S)-N-[1-[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]ethenyl]-1-pyridin-3-ylbutan-1-amine is C=C(N[C@@H](CCC)c1cccnc1)c1cncc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of (1S)-N-[1-[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]ethenyl]-1-pyridin-3-ylbutan-1-amine?
The InChIKey is VNUOIMDTWHIJJV-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H22FN5/c1-3-5-22(17-6-4-11-25-12-17)28-16(2)20-13-26-15-23-21(20)14-27-29(23)19-9-7-18(24)8-10-19/h4,6-15,22,28H,2-3,5H2,1H3/t22-/m0/s1.
What are the key properties of (1S)-N-[1-[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]ethenyl]-1-pyridin-3-ylbutan-1-amine?
(1S)-N-[1-[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]ethenyl]-1-pyridin-3-ylbutan-1-amine has a molecular weight of 387.46 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[1-[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridin-4-yl]ethenyl]-1-pyridin-3-ylbutan-1-amine is sourced from PubChem (CID 118680423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).