5-[[[1-(2-fluoro-4-pyridinyl)pyrazol-4-yl]amino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine

C18H21FN6O — CID 146150326

IUPAC5-[[[1-(2-fluoro-4-pyridinyl)pyrazol-4-yl]amino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
SMILESCOCCN(C)c1ccc(CNc2cnn(-c3ccnc(F)c3)c2)cn1
InChIInChI=1S/C18H21FN6O/c1-24(7-8-26-2)18-4-3-14(11-22-18)10-21-15-12-23-25(13-15)16-5-6-20-17(19)9-16/h3-6,9,11-13,21H,7-8,10H2,1-2H3
InChIKeyDLRGQJSXWFOKAQ-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.50
Rot. Bonds8

About 5-[[[1-(2-fluoro-4-pyridinyl)pyrazol-4-yl]amino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine

5-[[[1-(2-fluoro-4-pyridinyl)pyrazol-4-yl]amino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine (PubChem CID 146150326) has the molecular formula C18H21FN6O and a molecular weight of 356.41 g/mol. Its IUPAC name is 5-[[[1-(2-fluoro-4-pyridinyl)pyrazol-4-yl]amino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[[[1-(2-fluoro-4-pyridinyl)pyrazol-4-yl]amino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
PubChem CID146150326
Molecular FormulaC18H21FN6O
Molecular Weight356.41 g/mol
Exact Mass356.18
IUPAC Name5-[[[1-(2-fluoro-4-pyridinyl)pyrazol-4-yl]amino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
SMILESCOCCN(C)c1ccc(CNc2cnn(-c3ccnc(F)c3)c2)cn1
InChIInChI=1S/C18H21FN6O/c1-24(7-8-26-2)18-4-3-14(11-22-18)10-21-15-12-23-25(13-15)16-5-6-20-17(19)9-16/h3-6,9,11-13,21H,7-8,10H2,1-2H3
InChIKeyDLRGQJSXWFOKAQ-UHFFFAOYSA-N
XLogP2.50
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[[1-(2-fluoro-4-pyridinyl)pyrazol-4-yl]amino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine?
The IUPAC name of 5-[[[1-(2-fluoro-4-pyridinyl)pyrazol-4-yl]amino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine (CID 146150326) is 5-[[[1-(2-fluoro-4-pyridinyl)pyrazol-4-yl]amino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine.
What is the SMILES notation for 5-[[[1-(2-fluoro-4-pyridinyl)pyrazol-4-yl]amino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine?
The canonical SMILES for 5-[[[1-(2-fluoro-4-pyridinyl)pyrazol-4-yl]amino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine is COCCN(C)c1ccc(CNc2cnn(-c3ccnc(F)c3)c2)cn1.
What is the InChIKey of 5-[[[1-(2-fluoro-4-pyridinyl)pyrazol-4-yl]amino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine?
The InChIKey is DLRGQJSXWFOKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN6O/c1-24(7-8-26-2)18-4-3-14(11-22-18)10-21-15-12-23-25(13-15)16-5-6-20-17(19)9-16/h3-6,9,11-13,21H,7-8,10H2,1-2H3.
What are the key properties of 5-[[[1-(2-fluoro-4-pyridinyl)pyrazol-4-yl]amino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine?
5-[[[1-(2-fluoro-4-pyridinyl)pyrazol-4-yl]amino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine has a molecular weight of 356.41 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[1-(2-fluoro-4-pyridinyl)pyrazol-4-yl]amino]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine is sourced from PubChem (CID 146150326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).