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

C25H24FN5O — CID 54585507

IUPAC4-(1-benzylpyrazol-3-yl)-5-fluoro-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
SMILESFc1cnc(Nc2ccc(N3CCOCC3)cc2)cc1-c1ccn(Cc2ccccc2)n1
InChIInChI=1S/C25H24FN5O/c26-23-17-27-25(28-20-6-8-21(9-7-20)30-12-14-32-15-13-30)16-22(23)24-10-11-31(29-24)18-19-4-2-1-3-5-19/h1-11,16-17H,12-15,18H2,(H,27,28)
InChIKeyBTLMRIGOLIXLEA-UHFFFAOYSA-N
MW429.50 g/mol
LogP4.71
Rot. Bonds6

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

4-(1-benzylpyrazol-3-yl)-5-fluoro-N-(4-morpholin-4-ylphenyl)pyridin-2-amine (PubChem CID 54585507) has the molecular formula C25H24FN5O and a molecular weight of 429.50 g/mol. Its IUPAC name is 4-(1-benzylpyrazol-3-yl)-5-fluoro-N-(4-morpholin-4-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(1-benzylpyrazol-3-yl)-5-fluoro-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
PubChem CID54585507
Molecular FormulaC25H24FN5O
Molecular Weight429.50 g/mol
Exact Mass429.20
IUPAC Name4-(1-benzylpyrazol-3-yl)-5-fluoro-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
SMILESFc1cnc(Nc2ccc(N3CCOCC3)cc2)cc1-c1ccn(Cc2ccccc2)n1
InChIInChI=1S/C25H24FN5O/c26-23-17-27-25(28-20-6-8-21(9-7-20)30-12-14-32-15-13-30)16-22(23)24-10-11-31(29-24)18-19-4-2-1-3-5-19/h1-11,16-17H,12-15,18H2,(H,27,28)
InChIKeyBTLMRIGOLIXLEA-UHFFFAOYSA-N
XLogP4.71
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.71
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 4-(1-benzylpyrazol-3-yl)-5-fluoro-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The IUPAC name of 4-(1-benzylpyrazol-3-yl)-5-fluoro-N-(4-morpholin-4-ylphenyl)pyridin-2-amine (CID 54585507) is 4-(1-benzylpyrazol-3-yl)-5-fluoro-N-(4-morpholin-4-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 4-(1-benzylpyrazol-3-yl)-5-fluoro-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The canonical SMILES for 4-(1-benzylpyrazol-3-yl)-5-fluoro-N-(4-morpholin-4-ylphenyl)pyridin-2-amine is Fc1cnc(Nc2ccc(N3CCOCC3)cc2)cc1-c1ccn(Cc2ccccc2)n1.
What is the InChIKey of 4-(1-benzylpyrazol-3-yl)-5-fluoro-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The InChIKey is BTLMRIGOLIXLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O/c26-23-17-27-25(28-20-6-8-21(9-7-20)30-12-14-32-15-13-30)16-22(23)24-10-11-31(29-24)18-19-4-2-1-3-5-19/h1-11,16-17H,12-15,18H2,(H,27,28).
What are the key properties of 4-(1-benzylpyrazol-3-yl)-5-fluoro-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
4-(1-benzylpyrazol-3-yl)-5-fluoro-N-(4-morpholin-4-ylphenyl)pyridin-2-amine has a molecular weight of 429.50 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylpyrazol-3-yl)-5-fluoro-N-(4-morpholin-4-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 54585507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).