6-(5-chloro-2-fluoro-4-pyridinyl)-3-ethyl-1-(oxan-4-ylmethyl)-2H-pyrazine

C17H21ClFN3O — CID 141286301

IUPAC6-(5-chloro-2-fluoro-4-pyridinyl)-3-ethyl-1-(oxan-4-ylmethyl)-2H-pyrazine
SMILESCCC1=NC=C(c2cc(F)ncc2Cl)N(CC2CCOCC2)C1
InChIInChI=1S/C17H21ClFN3O/c1-2-13-11-22(10-12-3-5-23-6-4-12)16(9-20-13)14-7-17(19)21-8-15(14)18/h7-9,12H,2-6,10-11H2,1H3
InChIKeyNOQRSMMQLUBMPQ-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.77
Rot. Bonds4

About 6-(5-chloro-2-fluoro-4-pyridinyl)-3-ethyl-1-(oxan-4-ylmethyl)-2H-pyrazine

6-(5-chloro-2-fluoro-4-pyridinyl)-3-ethyl-1-(oxan-4-ylmethyl)-2H-pyrazine (PubChem CID 141286301) has the molecular formula C17H21ClFN3O and a molecular weight of 337.83 g/mol. Its IUPAC name is 6-(5-chloro-2-fluoro-4-pyridinyl)-3-ethyl-1-(oxan-4-ylmethyl)-2H-pyrazine.

Molecular Properties

Compound Name6-(5-chloro-2-fluoro-4-pyridinyl)-3-ethyl-1-(oxan-4-ylmethyl)-2H-pyrazine
PubChem CID141286301
Molecular FormulaC17H21ClFN3O
Molecular Weight337.83 g/mol
Exact Mass337.14
IUPAC Name6-(5-chloro-2-fluoro-4-pyridinyl)-3-ethyl-1-(oxan-4-ylmethyl)-2H-pyrazine
SMILESCCC1=NC=C(c2cc(F)ncc2Cl)N(CC2CCOCC2)C1
InChIInChI=1S/C17H21ClFN3O/c1-2-13-11-22(10-12-3-5-23-6-4-12)16(9-20-13)14-7-17(19)21-8-15(14)18/h7-9,12H,2-6,10-11H2,1H3
InChIKeyNOQRSMMQLUBMPQ-UHFFFAOYSA-N
XLogP3.77
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(5-chloro-2-fluoro-4-pyridinyl)-3-ethyl-1-(oxan-4-ylmethyl)-2H-pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-{1-[(3,5-Dichloro-4-pyridinyl)methyl]-4-piperidinyl}ethyl)morpholine
CID 70766602
N-[(3,5-dichloro-4-pyridinyl)methyl]-N-methoxy-1-(oxan-4-yl)methanamine
CID 136559144
6-(2-Amino-3-chloro-4-pyridinyl)-3,6-difluoro-1-[(4-methyloxan-4-yl)methyl]pyridin-2-amine
CID 66955102
3-(5-chloro-2-fluoropyridin-4-yl)-5-fluoro-N-((tetrahydro-2H-pyran-4-yl)methyl)aniline
CID 67033472
6-(2-Amino-3-chloro-4-pyridinyl)-3,6-difluoro-1-(oxan-4-ylmethyl)pyridin-2-amine
CID 67043456
6-(2-Amino-3-fluoro-4-pyridinyl)-5-chloro-6-fluoro-1-(oxan-4-ylmethyl)pyridin-2-amine
CID 68276184
6-(2-Amino-3-chloro-4-pyridinyl)-5-chloro-3,6-difluoro-1-(oxan-4-ylmethyl)pyridin-2-amine
CID 68296820
6-(3-chloro-4-pyridinyl)-3,6-difluoro-N-[(4-methyloxan-4-yl)methyl]-1H-pyridin-2-amine
CID 68296864
3-(5-chloro-2-fluoro-4-pyridinyl)-4-fluoro-N-(oxan-4-ylmethyl)aniline
CID 69674805
CID 88919762
CID 88919762
CID 89784527
CID 89784527
3-chloro-6-(5-chloro-2-fluoro-4-pyridinyl)-1-methyl-N-(oxan-4-ylmethyl)-2H-pyridin-2-amine
CID 123194440

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-fluoro-4-pyridinyl)-3-ethyl-1-(oxan-4-ylmethyl)-2H-pyrazine?
The IUPAC name of 6-(5-chloro-2-fluoro-4-pyridinyl)-3-ethyl-1-(oxan-4-ylmethyl)-2H-pyrazine (CID 141286301) is 6-(5-chloro-2-fluoro-4-pyridinyl)-3-ethyl-1-(oxan-4-ylmethyl)-2H-pyrazine.
What is the SMILES notation for 6-(5-chloro-2-fluoro-4-pyridinyl)-3-ethyl-1-(oxan-4-ylmethyl)-2H-pyrazine?
The canonical SMILES for 6-(5-chloro-2-fluoro-4-pyridinyl)-3-ethyl-1-(oxan-4-ylmethyl)-2H-pyrazine is CCC1=NC=C(c2cc(F)ncc2Cl)N(CC2CCOCC2)C1.
What is the InChIKey of 6-(5-chloro-2-fluoro-4-pyridinyl)-3-ethyl-1-(oxan-4-ylmethyl)-2H-pyrazine?
The InChIKey is NOQRSMMQLUBMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClFN3O/c1-2-13-11-22(10-12-3-5-23-6-4-12)16(9-20-13)14-7-17(19)21-8-15(14)18/h7-9,12H,2-6,10-11H2,1H3.
What are the key properties of 6-(5-chloro-2-fluoro-4-pyridinyl)-3-ethyl-1-(oxan-4-ylmethyl)-2H-pyrazine?
6-(5-chloro-2-fluoro-4-pyridinyl)-3-ethyl-1-(oxan-4-ylmethyl)-2H-pyrazine has a molecular weight of 337.83 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-fluoro-4-pyridinyl)-3-ethyl-1-(oxan-4-ylmethyl)-2H-pyrazine is sourced from PubChem (CID 141286301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).