5-fluoro-4-(1-methylpyrazol-3-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine

C19H20FN5O — CID 54581624

IUPAC5-fluoro-4-(1-methylpyrazol-3-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
SMILESCn1ccc(-c2cc(Nc3ccc(N4CCOCC4)cc3)ncc2F)n1
InChIInChI=1S/C19H20FN5O/c1-24-7-6-18(23-24)16-12-19(21-13-17(16)20)22-14-2-4-15(5-3-14)25-8-10-26-11-9-25/h2-7,12-13H,8-11H2,1H3,(H,21,22)
InChIKeyKLCIVXUAMVFAFQ-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.20
Rot. Bonds4

About 5-fluoro-4-(1-methylpyrazol-3-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine

5-fluoro-4-(1-methylpyrazol-3-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine (PubChem CID 54581624) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is 5-fluoro-4-(1-methylpyrazol-3-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(1-methylpyrazol-3-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
PubChem CID54581624
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name5-fluoro-4-(1-methylpyrazol-3-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
SMILESCn1ccc(-c2cc(Nc3ccc(N4CCOCC4)cc3)ncc2F)n1
InChIInChI=1S/C19H20FN5O/c1-24-7-6-18(23-24)16-12-19(21-13-17(16)20)22-14-2-4-15(5-3-14)25-8-10-26-11-9-25/h2-7,12-13H,8-11H2,1H3,(H,21,22)
InChIKeyKLCIVXUAMVFAFQ-UHFFFAOYSA-N
XLogP3.20
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(1-methylpyrazol-3-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The IUPAC name of 5-fluoro-4-(1-methylpyrazol-3-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine (CID 54581624) is 5-fluoro-4-(1-methylpyrazol-3-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 5-fluoro-4-(1-methylpyrazol-3-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The canonical SMILES for 5-fluoro-4-(1-methylpyrazol-3-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine is Cn1ccc(-c2cc(Nc3ccc(N4CCOCC4)cc3)ncc2F)n1.
What is the InChIKey of 5-fluoro-4-(1-methylpyrazol-3-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The InChIKey is KLCIVXUAMVFAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-24-7-6-18(23-24)16-12-19(21-13-17(16)20)22-14-2-4-15(5-3-14)25-8-10-26-11-9-25/h2-7,12-13H,8-11H2,1H3,(H,21,22).
What are the key properties of 5-fluoro-4-(1-methylpyrazol-3-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
5-fluoro-4-(1-methylpyrazol-3-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine has a molecular weight of 353.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(1-methylpyrazol-3-yl)-N-(4-morpholin-4-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 54581624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).