5-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine

C24H29FN6O2 — CID 54583576

IUPAC5-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
SMILESFc1cnc(Nc2ccc(N3CCOCC3)cc2)cc1-c1ccn(CCN2CCOCC2)n1
InChIInChI=1S/C24H29FN6O2/c25-22-18-26-24(27-19-1-3-20(4-2-19)30-11-15-33-16-12-30)17-21(22)23-5-6-31(28-23)8-7-29-9-13-32-14-10-29/h1-6,17-18H,7-16H2,(H,26,27)
InChIKeyUBNXPHMKPZJLOX-UHFFFAOYSA-N
MW452.53 g/mol
LogP3.00
Rot. Bonds7

About 5-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine

5-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine (PubChem CID 54583576) has the molecular formula C24H29FN6O2 and a molecular weight of 452.53 g/mol. Its IUPAC name is 5-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
PubChem CID54583576
Molecular FormulaC24H29FN6O2
Molecular Weight452.53 g/mol
Exact Mass452.23
IUPAC Name5-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
SMILESFc1cnc(Nc2ccc(N3CCOCC3)cc2)cc1-c1ccn(CCN2CCOCC2)n1
InChIInChI=1S/C24H29FN6O2/c25-22-18-26-24(27-19-1-3-20(4-2-19)30-11-15-33-16-12-30)17-21(22)23-5-6-31(28-23)8-7-29-9-13-32-14-10-29/h1-6,17-18H,7-16H2,(H,26,27)
InChIKeyUBNXPHMKPZJLOX-UHFFFAOYSA-N
XLogP3.00
TPSA67.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.53
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(2-morpholin-4-ylethyl)pyrazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The IUPAC name of 5-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine (CID 54583576) is 5-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine.
What is the SMILES notation for 5-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The canonical SMILES for 5-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine is Fc1cnc(Nc2ccc(N3CCOCC3)cc2)cc1-c1ccn(CCN2CCOCC2)n1.
What is the InChIKey of 5-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
The InChIKey is UBNXPHMKPZJLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN6O2/c25-22-18-26-24(27-19-1-3-20(4-2-19)30-11-15-33-16-12-30)17-21(22)23-5-6-31(28-23)8-7-29-9-13-32-14-10-29/h1-6,17-18H,7-16H2,(H,26,27).
What are the key properties of 5-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine?
5-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine has a molecular weight of 452.53 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine is sourced from PubChem (CID 54583576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).