3-(4-amino-3-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine

C15H16FN5 — CID 168833153

IUPAC3-(4-amino-3-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine
SMILESCC(C)n1nc(-c2ccc(N)c(F)c2)c2c(N)nccc21
InChIInChI=1S/C15H16FN5/c1-8(2)21-12-5-6-19-15(18)13(12)14(20-21)9-3-4-11(17)10(16)7-9/h3-8H,17H2,1-2H3,(H2,18,19)
InChIKeyWOEHOIZLBHAIFV-UHFFFAOYSA-N
MW285.33 g/mol
LogP2.98
Rot. Bonds2

About 3-(4-amino-3-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine

3-(4-amino-3-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine (PubChem CID 168833153) has the molecular formula C15H16FN5 and a molecular weight of 285.33 g/mol. Its IUPAC name is 3-(4-amino-3-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine.

Molecular Properties

Compound Name3-(4-amino-3-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine
PubChem CID168833153
Molecular FormulaC15H16FN5
Molecular Weight285.33 g/mol
Exact Mass285.14
IUPAC Name3-(4-amino-3-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine
SMILESCC(C)n1nc(-c2ccc(N)c(F)c2)c2c(N)nccc21
InChIInChI=1S/C15H16FN5/c1-8(2)21-12-5-6-19-15(18)13(12)14(20-21)9-3-4-11(17)10(16)7-9/h3-8H,17H2,1-2H3,(H2,18,19)
InChIKeyWOEHOIZLBHAIFV-UHFFFAOYSA-N
XLogP2.98
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine?
The IUPAC name of 3-(4-amino-3-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine (CID 168833153) is 3-(4-amino-3-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine.
What is the SMILES notation for 3-(4-amino-3-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine?
The canonical SMILES for 3-(4-amino-3-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine is CC(C)n1nc(-c2ccc(N)c(F)c2)c2c(N)nccc21.
What is the InChIKey of 3-(4-amino-3-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine?
The InChIKey is WOEHOIZLBHAIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN5/c1-8(2)21-12-5-6-19-15(18)13(12)14(20-21)9-3-4-11(17)10(16)7-9/h3-8H,17H2,1-2H3,(H2,18,19).
What are the key properties of 3-(4-amino-3-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine?
3-(4-amino-3-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine has a molecular weight of 285.33 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-fluorophenyl)-1-propan-2-ylpyrazolo[4,3-c]pyridin-4-amine is sourced from PubChem (CID 168833153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).